CID 3042848

5-thiazolepropanol, 2-methyl-, methylcarbamate (ester)

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC1=NC=C(S1)CCCOC(=O)NC
InChI
InChI=1S/C9H14N2O2S/c1-7-11-6-8(14-7)4-3-5-13-9(12)10-2/h6H,3-5H2,1-2H3,(H,10,12)
InChIKey
LQWQKHVJTULDNN-UHFFFAOYSA-N
Compound name
3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

214.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 148.5
[M+Na]+ 237.06682 157.4
[M+NH4]+ 232.11142 155.8
[M+K]+ 253.04076 152.1
[M-H]- 213.07032 149.1
[M+Na-2H]- 235.05227 151.9
[M]+ 214.07705 150.1
[M]- 214.07815 150.1
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