CID 3887782

1609395-87-0

Structural Information

Molecular Formula
C14H18N2O2
SMILES
CC(C)CC1=NC2=CC=CC=C2N1C(C)C(=O)O
InChI
InChI=1S/C14H18N2O2/c1-9(2)8-13-15-11-6-4-5-7-12(11)16(13)10(3)14(17)18/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKey
XXBJTNCYZOPXBL-UHFFFAOYSA-N
Compound name
2-[2-(2-methylpropyl)benzimidazol-1-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.13683 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.14411 156.5
[M+Na]+ 269.12605 168.0
[M+NH4]+ 264.17065 163.1
[M+K]+ 285.09999 165.0
[M-H]- 245.12955 156.1
[M+Na-2H]- 267.11150 160.3
[M]+ 246.13628 157.8
[M]- 246.13738 157.8
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

No patent data available for this compound.