CID 24706792

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile

Structural Information

Molecular Formula
C6H7N3S2
SMILES
CC1=C(SC(=N1)N)SCC#N
InChI
InChI=1S/C6H7N3S2/c1-4-5(10-3-2-7)11-6(8)9-4/h3H2,1H3,(H2,8,9)
InChIKey
NYHFYHGWZWEWBU-UHFFFAOYSA-N
Compound name
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.00813 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.015406 140.9
[M+Na]+ 207.997348 152.9
[M-H]- 184.000854 144.0
[M+NH4]+ 203.041953 160.0
[M+K]+ 223.971288 149.8
[M+H-H2O]+ 168.005390 128.7
[M+HCOO]- 230.006331 151.9
[M+CH3COO]- 244.021981 193.5
[M+Na-2H]- 205.982796 140.6
[M]+ 185.00758142 138.1
[M]- 185.00867858 138.1
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.