CID 71632958

[1-(propan-2-yl)-1h-imidazol-2-yl]methanethiol

Structural Information

Molecular Formula
C7H12N2S
SMILES
CC(C)N1C=CN=C1CS
InChI
InChI=1S/C7H12N2S/c1-6(2)9-4-3-8-7(9)5-10/h3-4,6,10H,5H2,1-2H3
InChIKey
WRZKRBXIALJGSK-UHFFFAOYSA-N
Compound name
(1-propan-2-ylimidazol-2-yl)methanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 133.8
[M+Na]+ 179.06133 145.1
[M+NH4]+ 174.10593 142.5
[M+K]+ 195.03527 139.1
[M-H]- 155.06483 134.7
[M+Na-2H]- 177.04678 138.5
[M]+ 156.07156 136.0
[M]- 156.07266 136.0
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.