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

30
Patents

157.01974 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.02702 130.4
[M+Na]+ 180.00896 139.5
[M-H]- 156.01246 133.4
[M+NH4]+ 175.05356 152.5
[M+K]+ 195.98290 138.6
[M+H-H2O]+ 140.01700 124.6
[M+HCOO]- 202.01794 149.8
[M+CH3COO]- 216.03359 172.2
[M+Na-2H]- 177.99441 133.0
[M]+ 157.01919 134.2
[M]- 157.02029 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