CID 11073749

[4-(chloromethyl)-1,3-thiazol-2-yl]methanol hydrochloride

Structural Information

Molecular Formula
C5H6ClNOS
SMILES
C1=C(N=C(S1)CO)CCl
InChI
InChI=1S/C5H6ClNOS/c6-1-4-3-9-5(2-8)7-4/h3,8H,1-2H2
InChIKey
NNHPFROMEVVJIO-UHFFFAOYSA-N
Compound name
[4-(chloromethyl)-1,3-thiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

162.98586 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.993136 128.5
[M+Na]+ 185.975078 139.1
[M-H]- 161.978584 130.3
[M+NH4]+ 181.019683 150.9
[M+K]+ 201.949018 135.4
[M+H-H2O]+ 145.983120 124.2
[M+HCOO]- 207.984061 142.7
[M+CH3COO]- 221.999711 170.3
[M+Na-2H]- 183.960526 131.2
[M]+ 162.98531142 132.0
[M]- 162.98640858 132.0
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