CID 26967340

1955541-74-8

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1CC2=NC=C(N2C1)C(=O)O
InChI
InChI=1S/C7H8N2O2/c10-7(11)5-4-8-6-2-1-3-9(5)6/h4H,1-3H2,(H,10,11)
InChIKey
GDAOCGTXUVDBOC-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

152.05858 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.06586 130.3
[M+Na]+ 175.04780 139.1
[M-H]- 151.05130 131.2
[M+NH4]+ 170.09240 152.5
[M+K]+ 191.02174 137.6
[M+H-H2O]+ 135.05584 124.2
[M+HCOO]- 197.05678 150.9
[M+CH3COO]- 211.07243 171.5
[M+Na-2H]- 173.03325 134.1
[M]+ 152.05803 129.4
[M]- 152.05913 129.4
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