CID 163401

84041-80-5

Structural Information

Molecular Formula
C6H11NOS
SMILES
CC1=NCSC1CCO
InChI
InChI=1S/C6H11NOS/c1-5-6(2-3-8)9-4-7-5/h6,8H,2-4H2,1H3
InChIKey
CJZPPTPIWLYBJR-UHFFFAOYSA-N
Compound name
2-(4-methyl-2,5-dihydro-1,3-thiazol-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

145.05614 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.063416 128.9
[M+Na]+ 168.045358 137.4
[M-H]- 144.048864 130.2
[M+NH4]+ 163.089963 151.1
[M+K]+ 184.019298 135.5
[M+H-H2O]+ 128.053400 123.6
[M+HCOO]- 190.054341 145.9
[M+CH3COO]- 204.069991 169.7
[M+Na-2H]- 166.030806 130.5
[M]+ 145.05559142 129.8
[M]- 145.05668858 129.8
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

No patent data available for this compound.