CID 23041772

67322-84-3

Structural Information

Molecular Formula
C5H5N3S
SMILES
CC1=C(SC(=N1)N)C#N
InChI
InChI=1S/C5H5N3S/c1-3-4(2-6)9-5(7)8-3/h1H3,(H2,7,8)
InChIKey
ULWHWCKQINGKAY-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

139.02042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.02770 129.2
[M+Na]+ 162.00964 141.2
[M-H]- 138.01314 132.1
[M+NH4]+ 157.05424 149.6
[M+K]+ 177.98358 139.1
[M+H-H2O]+ 122.01768 116.8
[M+HCOO]- 184.01862 145.9
[M+CH3COO]- 198.03427 186.5
[M+Na-2H]- 159.99509 131.4
[M]+ 139.01987 125.0
[M]- 139.02097 125.0
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

patents stripe