CID 817030

2161-68-4

Structural Information

Molecular Formula
C5H8N2S
SMILES
CC1=CSC(=N1)NC
InChI
InChI=1S/C5H8N2S/c1-4-3-8-5(6-2)7-4/h3H,1-2H3,(H,6,7)
InChIKey
DGBNDUXTMUGNGM-UHFFFAOYSA-N
Compound name
N,4-dimethyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

128.04082 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 122.4
[M+Na]+ 151.030038 132.1
[M-H]- 127.033544 125.6
[M+NH4]+ 146.074643 145.7
[M+K]+ 167.003978 130.4
[M+H-H2O]+ 111.038080 116.7
[M+HCOO]- 173.039021 143.4
[M+CH3COO]- 187.054671 171.8
[M+Na-2H]- 149.015486 126.4
[M]+ 128.04027142 124.0
[M]- 128.04136858 124.0
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