CID 155822608

(3-methoxy-1,2-thiazol-4-yl)methanol

Structural Information

Molecular Formula
C5H7NO2S
SMILES
COC1=NSC=C1CO
InChI
InChI=1S/C5H7NO2S/c1-8-5-4(2-7)3-9-6-5/h3,7H,2H2,1H3
InChIKey
IGHDEPKRYUEXKO-UHFFFAOYSA-N
Compound name
(3-methoxy-1,2-thiazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.01974 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.02702 125.8
[M+Na]+ 168.00896 135.7
[M-H]- 144.01246 127.7
[M+NH4]+ 163.05356 148.0
[M+K]+ 183.98290 134.2
[M+H-H2O]+ 128.01700 120.6
[M+HCOO]- 190.01794 144.9
[M+CH3COO]- 204.03359 168.4
[M+Na-2H]- 165.99441 129.0
[M]+ 145.01919 129.2
[M]- 145.02029 129.2
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.