CID 165717773

1-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]ethan-1-ol

Structural Information

Molecular Formula
C7H12N2OS
SMILES
CC1=C(SC(=N1)C(C)O)CN
InChI
InChI=1S/C7H12N2OS/c1-4-6(3-8)11-7(9-4)5(2)10/h5,10H,3,8H2,1-2H3
InChIKey
ZCVJPQZWXNKVKH-UHFFFAOYSA-N
Compound name
1-[5-(aminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.06703 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.074306 135.9
[M+Na]+ 195.056248 144.6
[M-H]- 171.059754 137.2
[M+NH4]+ 190.100853 156.5
[M+K]+ 211.030188 141.9
[M+H-H2O]+ 155.064290 130.2
[M+HCOO]- 217.065231 153.2
[M+CH3COO]- 231.080881 178.5
[M+Na-2H]- 193.041696 135.7
[M]+ 172.06648142 136.4
[M]- 172.06757858 136.4
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

No patent data available for this compound.