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
2
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]+ 146.06342 128.9
[M+Na]+ 168.04536 137.4
[M-H]- 144.04886 130.2
[M+NH4]+ 163.08996 151.1
[M+K]+ 184.01930 135.5
[M+H-H2O]+ 128.05340 123.6
[M+HCOO]- 190.05434 145.9
[M+CH3COO]- 204.06999 169.7
[M+Na-2H]- 166.03081 130.5
[M]+ 145.05559 129.8
[M]- 145.05669 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.