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

8
Patents

280.1423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 164.4
[M+Na]+ 303.13152 172.6
[M+NH4]+ 298.17612 169.3
[M+K]+ 319.10546 172.0
[M-H]- 279.13502 161.8
[M+Na-2H]- 301.11697 164.7
[M]+ 280.14175 164.4
[M]- 280.14285 164.4
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