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

104
Patents

128.04082 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.048096 122.5
[M+Na]+ 151.030038 131.3
[M-H]- 127.033544 125.4
[M+NH4]+ 146.074643 145.6
[M+K]+ 167.003978 129.7
[M+H-H2O]+ 111.038080 116.5
[M+HCOO]- 173.039021 143.6
[M+CH3COO]- 187.054671 170.7
[M+Na-2H]- 149.015486 127.2
[M]+ 128.04027142 123.8
[M]- 128.04136858 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