CID 13842752

53064-43-0

Structural Information

Molecular Formula
C6H9NOS
SMILES
CC1=C(C(=NS1)C)CO
InChI
InChI=1S/C6H9NOS/c1-4-6(3-8)5(2)9-7-4/h8H,3H2,1-2H3
InChIKey
IDMQGDPNBZRLAM-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1,2-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

143.04048 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.047756 126.4
[M+Na]+ 166.029698 136.9
[M-H]- 142.033204 128.6
[M+NH4]+ 161.074303 149.1
[M+K]+ 182.003638 134.7
[M+H-H2O]+ 126.037740 121.5
[M+HCOO]- 188.038681 144.9
[M+CH3COO]- 202.054331 170.5
[M+Na-2H]- 164.015146 128.4
[M]+ 143.03993142 129.1
[M]- 143.04102858 129.1
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

patents stripe