CID 66523297

1135123-91-9

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(N2C)C(=O)O
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(19)16-6-5-10-9(8-16)7-11(12(17)18)15(10)4/h7H,5-6,8H2,1-4H3,(H,17,18)
InChIKey
VSZQDUGXFMAJAH-UHFFFAOYSA-N
Compound name
1-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

280.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.8
[M+Na]+ 303.131518 172.9
[M-H]- 279.135024 166.4
[M+NH4]+ 298.176123 181.7
[M+K]+ 319.105458 171.2
[M+H-H2O]+ 263.139560 159.8
[M+HCOO]- 325.140501 179.9
[M+CH3COO]- 339.156151 197.6
[M+Na-2H]- 301.116966 166.5
[M]+ 280.14175142 167.0
[M]- 280.14284858 167.0
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

patents stripe