CID 720070

1-(propan-2-yl)-1h-1,3-benzodiazole-2-thiol

Structural Information

Molecular Formula
C10H12N2S
SMILES
CC(C)N1C2=CC=CC=C2NC1=S
InChI
InChI=1S/C10H12N2S/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-7H,1-2H3,(H,11,13)
InChIKey
BIYKMLUIQQIMGB-UHFFFAOYSA-N
Compound name
3-propan-2-yl-1H-benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

71
Patents

192.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.9
[M+Na]+ 215.06133 150.5
[M-H]- 191.06483 140.7
[M+NH4]+ 210.10593 159.4
[M+K]+ 231.03527 145.6
[M+H-H2O]+ 175.06937 133.2
[M+HCOO]- 237.07031 155.3
[M+CH3COO]- 251.08596 152.4
[M+Na-2H]- 213.04678 141.8
[M]+ 192.07156 141.4
[M]- 192.07266 141.4
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