CID 55289034

40064-67-3

Structural Information

Molecular Formula
C5H8N2S
SMILES
CC1=NSC(=C1)CN
InChI
InChI=1S/C5H8N2S/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3
InChIKey
DURCPGVQMXNQJC-UHFFFAOYSA-N
Compound name
(3-methyl-1,2-thiazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.04082 Da
Monoisotopic Mass

0.3
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

No literature data available for this compound.

Patent stripe

patents stripe