CID 81940222

1525330-55-5

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1CC2=C(CC1C(=O)O)NC(=O)N2
InChI
InChI=1S/C8H10N2O3/c11-7(12)4-1-2-5-6(3-4)10-8(13)9-5/h4H,1-3H2,(H,11,12)(H2,9,10,13)
InChIKey
XIVIGKNHEZJALW-UHFFFAOYSA-N
Compound name
2-oxo-1,3,4,5,6,7-hexahydrobenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 137.1
[M+Na]+ 205.05836 144.9
[M-H]- 181.06186 135.0
[M+NH4]+ 200.10296 155.1
[M+K]+ 221.03230 141.1
[M+H-H2O]+ 165.06640 131.2
[M+HCOO]- 227.06734 152.6
[M+CH3COO]- 241.08299 172.1
[M+Na-2H]- 203.04381 140.4
[M]+ 182.06859 131.9
[M]- 182.06969 131.9
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

No patent data available for this compound.