CID 22575006

126167-33-7

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CNC(C2=C1NC=N2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)6-5-4(1-2-8-6)9-3-10-5/h3,6,8H,1-2H2,(H,9,10)(H,11,12)
InChIKey
BELXZXRNDYMDFT-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

111
Patents

167.06947 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.076746 135.2
[M+Na]+ 190.058688 142.4
[M-H]- 166.062194 131.5
[M+NH4]+ 185.103293 152.2
[M+K]+ 206.032628 138.8
[M+H-H2O]+ 150.066730 128.3
[M+HCOO]- 212.067671 149.3
[M+CH3COO]- 226.083321 169.4
[M+Na-2H]- 188.044136 139.6
[M]+ 167.06892142 129.0
[M]- 167.07001858 129.0
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