CID 23067436

Methyl 2-(1,3-thiazol-2-yl)acetate hydrochloride

Structural Information

Molecular Formula
C6H7NO2S
SMILES
COC(=O)CC1=NC=CS1
InChI
InChI=1S/C6H7NO2S/c1-9-6(8)4-5-7-2-3-10-5/h2-3H,4H2,1H3
InChIKey
WWLVLGCOTMQMMN-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-thiazol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

157.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.027016 130.4
[M+Na]+ 180.008958 139.5
[M-H]- 156.012464 133.4
[M+NH4]+ 175.053563 152.5
[M+K]+ 195.982898 138.6
[M+H-H2O]+ 140.017000 124.6
[M+HCOO]- 202.017941 149.8
[M+CH3COO]- 216.033591 172.2
[M+Na-2H]- 177.994406 133.0
[M]+ 157.01919142 134.2
[M]- 157.02028858 134.2
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

patents stripe