CID 4667189

(4-methyl-1,3-thiazol-2-yl)methanamine

Structural Information

Molecular Formula
C5H8N2S
SMILES
CC1=CSC(=N1)CN
InChI
InChI=1S/C5H8N2S/c1-4-3-8-5(2-6)7-4/h3H,2,6H2,1H3
InChIKey
OJEGLCVIHVSMMR-UHFFFAOYSA-N
Compound name
(4-methyl-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

223
Patents

128.04082 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 122.7
[M+Na]+ 151.03004 132.4
[M-H]- 127.03354 125.4
[M+NH4]+ 146.07464 145.7
[M+K]+ 167.00398 130.3
[M+H-H2O]+ 111.03808 117.0
[M+HCOO]- 173.03902 143.1
[M+CH3COO]- 187.05467 171.1
[M+Na-2H]- 149.01549 125.7
[M]+ 128.04027 123.3
[M]- 128.04137 123.3
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