CID 18939834

Methyl[(1,3-thiazol-2-yl)methyl]amine

Structural Information

Molecular Formula
C5H8N2S
SMILES
CNCC1=NC=CS1
InChI
InChI=1S/C5H8N2S/c1-6-4-5-7-2-3-8-5/h2-3,6H,4H2,1H3
InChIKey
MNHGOWYUJYMPGV-UHFFFAOYSA-N
Compound name
N-methyl-1-(1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

223
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

literature stripe

Patent stripe

patents stripe