CID 109329

68391-56-0

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
CC1=NC2=C(N1CC(C)OC(=O)C)C=C(C=C2)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-8(18-10(3)17)7-16-9(2)15-12-5-4-11(14)6-13(12)16/h4-6,8H,7H2,1-3H3
InChIKey
XIWYCZGLYUOTNR-UHFFFAOYSA-N
Compound name
1-(6-chloro-2-methylbenzimidazol-1-yl)propan-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0822 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 157.9
[M+Na]+ 289.07142 169.1
[M-H]- 265.07492 160.6
[M+NH4]+ 284.11602 176.2
[M+K]+ 305.04536 164.8
[M+H-H2O]+ 249.07946 151.3
[M+HCOO]- 311.08040 174.5
[M+CH3COO]- 325.09605 197.2
[M+Na-2H]- 287.05687 160.5
[M]+ 266.08165 165.2
[M]- 266.08275 165.2
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.