CID 52210

73688-72-9

Structural Information

Molecular Formula
C10H12N2S
SMILES
CC1=CC2=C(C=C1C)N=C(N2)CS
InChI
InChI=1S/C10H12N2S/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
InChIKey
PXPXXPJORACKKN-UHFFFAOYSA-N
Compound name
(5,6-dimethyl-1H-benzimidazol-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

14
Patents

192.07211 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.7
[M+Na]+ 215.06133 151.3
[M-H]- 191.06483 140.8
[M+NH4]+ 210.10593 159.7
[M+K]+ 231.03527 146.5
[M+H-H2O]+ 175.06937 133.2
[M+HCOO]- 237.07031 156.0
[M+CH3COO]- 251.08596 152.8
[M+Na-2H]- 213.04678 142.1
[M]+ 192.07156 142.9
[M]- 192.07266 142.9
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