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]+ 186.01541 140.9
[M+Na]+ 207.99735 152.9
[M-H]- 184.00085 144.0
[M+NH4]+ 203.04195 160.0
[M+K]+ 223.97129 149.8
[M+H-H2O]+ 168.00539 128.7
[M+HCOO]- 230.00633 151.9
[M+CH3COO]- 244.02198 193.5
[M+Na-2H]- 205.98280 140.6
[M]+ 185.00758 138.1
[M]- 185.00868 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.