CID 363935

4,5,6,7-tetrahydro-1h-imidazo[4,5-c]pyridine-6-carboxylic acid

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1C(NCC2=C1N=CN2)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)5-1-4-6(2-8-5)10-3-9-4/h3,5,8H,1-2H2,(H,9,10)(H,11,12)
InChIKey
YCFJXOFFQLPCHD-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

929
Patents

167.06947 Da
Monoisotopic Mass

-3.1
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

literature stripe

Patent stripe

patents stripe