CID 80941

6469-35-8

Structural Information

Molecular Formula
C7H11NOS
SMILES
CC1=C(SC=N1)CCCO
InChI
InChI=1S/C7H11NOS/c1-6-7(3-2-4-9)10-5-8-6/h5,9H,2-4H2,1H3
InChIKey
RCYGJEJBLJTNJE-UHFFFAOYSA-N
Compound name
3-(4-methyl-1,3-thiazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

157.05614 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.063416 131.4
[M+Na]+ 180.045358 140.6
[M-H]- 156.048864 133.0
[M+NH4]+ 175.089963 153.2
[M+K]+ 196.019298 138.2
[M+H-H2O]+ 140.053400 126.0
[M+HCOO]- 202.054341 149.6
[M+CH3COO]- 216.069991 172.4
[M+Na-2H]- 178.030806 133.6
[M]+ 157.05559142 134.1
[M]- 157.05668858 134.1
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.