CID 22450503

Methyl(1,3-thiazol-4-ylmethyl)amine

Structural Information

Molecular Formula
C5H8N2S
SMILES
CNCC1=CSC=N1
InChI
InChI=1S/C5H8N2S/c1-6-2-5-3-8-4-7-5/h3-4,6H,2H2,1H3
InChIKey
AIUGQZIAOAZYCW-UHFFFAOYSA-N
Compound name
N-methyl-1-(1,3-thiazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

109
Patents

128.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.04810 122.5
[M+Na]+ 151.03004 131.3
[M-H]- 127.03354 125.4
[M+NH4]+ 146.07464 145.6
[M+K]+ 167.00398 129.7
[M+H-H2O]+ 111.03808 116.5
[M+HCOO]- 173.03902 143.6
[M+CH3COO]- 187.05467 170.7
[M+Na-2H]- 149.01549 127.2
[M]+ 128.04027 123.8
[M]- 128.04137 123.8
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