CID 165717773

En300-1269494

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]+ 173.07431 135.9
[M+Na]+ 195.05625 144.6
[M-H]- 171.05975 137.2
[M+NH4]+ 190.10085 156.5
[M+K]+ 211.03019 141.9
[M+H-H2O]+ 155.06429 130.2
[M+HCOO]- 217.06523 153.2
[M+CH3COO]- 231.08088 178.5
[M+Na-2H]- 193.04170 135.7
[M]+ 172.06648 136.4
[M]- 172.06758 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.