CID 12833143

2-(4-methylthiazol-5-yl)ethyl formate

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CC1=C(SC=N1)CCOC=O
InChI
InChI=1S/C7H9NO2S/c1-6-7(11-4-8-6)2-3-10-5-9/h4-5H,2-3H2,1H3
InChIKey
MONFGMLYTMEKTC-UHFFFAOYSA-N
Compound name
2-(4-methyl-1,3-thiazol-5-yl)ethyl formate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

48
Patents

171.0354 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.042676 133.5
[M+Na]+ 194.024618 143.3
[M-H]- 170.028124 136.5
[M+NH4]+ 189.069223 155.3
[M+K]+ 209.998558 141.6
[M+H-H2O]+ 154.032660 127.7
[M+HCOO]- 216.033601 153.6
[M+CH3COO]- 230.049251 176.2
[M+Na-2H]- 192.010066 136.1
[M]+ 171.03485142 138.7
[M]- 171.03594858 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