CID 83435862

2219379-40-3

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1CCC2=C(C1)NC(=N2)CC(=O)O
InChI
InChI=1S/C9H12N2O2/c12-9(13)5-8-10-6-3-1-2-4-7(6)11-8/h1-5H2,(H,10,11)(H,12,13)
InChIKey
HLPXDEKXQQJSJY-UHFFFAOYSA-N
Compound name
2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

180.08987 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 139.0
[M+Na]+ 203.079088 145.7
[M-H]- 179.082594 137.7
[M+NH4]+ 198.123693 157.6
[M+K]+ 219.053028 142.5
[M+H-H2O]+ 163.087130 132.4
[M+HCOO]- 225.088071 155.3
[M+CH3COO]- 239.103721 174.8
[M+Na-2H]- 201.064536 142.9
[M]+ 180.08932142 134.8
[M]- 180.09041858 134.8
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