CID 177797637

2-{1-[(tert-butoxy)carbonyl]pyrrolidin-3-yl}pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCC(C1)C2=NC=CC(=C2)C(=O)O
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-7-5-11(9-17)12-8-10(13(18)19)4-6-16-12/h4,6,8,11H,5,7,9H2,1-3H3,(H,18,19)
InChIKey
HMNXIKPMUWLQIU-UHFFFAOYSA-N
Compound name
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.149576 168.2
[M+Na]+ 315.131518 173.8
[M-H]- 291.135024 170.9
[M+NH4]+ 310.176123 181.9
[M+K]+ 331.105458 172.0
[M+H-H2O]+ 275.139560 160.7
[M+HCOO]- 337.140501 183.7
[M+CH3COO]- 351.156151 197.5
[M+Na-2H]- 313.116966 168.3
[M]+ 292.14175142 167.9
[M]- 292.14284858 167.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.