CID 7131304

88394-37-0

Structural Information

Molecular Formula
C6H7N3S
SMILES
CC1=NSC(=C1C#N)NC
InChI
InChI=1S/C6H7N3S/c1-4-5(3-7)6(8-2)10-9-4/h8H,1-2H3
InChIKey
GDPJRPDAKMCDSG-UHFFFAOYSA-N
Compound name
3-methyl-5-(methylamino)-1,2-thiazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

153.03607 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04335 132.4
[M+Na]+ 176.02529 144.1
[M-H]- 152.02879 135.7
[M+NH4]+ 171.06989 152.6
[M+K]+ 191.99923 142.1
[M+H-H2O]+ 136.03333 119.8
[M+HCOO]- 198.03427 149.4
[M+CH3COO]- 212.04992 189.8
[M+Na-2H]- 174.01074 135.2
[M]+ 153.03552 129.5
[M]- 153.03662 129.5
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