CID 71758242

1432678-21-1

Structural Information

Molecular Formula
C15H20N2O4
SMILES
CC(C)(C)OC(=O)NCC1=NC(=C(C=C1)C(=O)O)C2CC2
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)16-8-10-6-7-11(13(18)19)12(17-10)9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
IDQGJMNWOYQCGQ-UHFFFAOYSA-N
Compound name
2-cyclopropyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-3-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 167.6
[M+Na]+ 315.131518 175.1
[M-H]- 291.135024 172.5
[M+NH4]+ 310.176123 176.4
[M+K]+ 331.105458 171.4
[M+H-H2O]+ 275.139560 160.5
[M+HCOO]- 337.140501 186.7
[M+CH3COO]- 351.156151 204.4
[M+Na-2H]- 313.116966 170.3
[M]+ 292.14175142 171.9
[M]- 292.14284858 171.9
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.