CID 71587339

2-(5-methyl-1,3-thiazol-4-yl)ethyl formate

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CC1=C(N=CS1)CCOC=O
InChI
InChI=1S/C7H9NO2S/c1-6-7(8-4-11-6)2-3-10-5-9/h4-5H,2-3H2,1H3
InChIKey
CPIWIFHDFQMGKR-UHFFFAOYSA-N
Compound name
2-(5-methyl-1,3-thiazol-4-yl)ethyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.0354 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 133.5
[M+Na]+ 194.02462 143.3
[M-H]- 170.02812 136.5
[M+NH4]+ 189.06922 155.3
[M+K]+ 209.99856 141.6
[M+H-H2O]+ 154.03266 127.7
[M+HCOO]- 216.03360 153.6
[M+CH3COO]- 230.04925 176.2
[M+Na-2H]- 192.01007 136.1
[M]+ 171.03485 138.7
[M]- 171.03595 138.7
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