CID 203020

Carbamic acid, methyl-, 7-methylbenzo(b)thien-4-yl ester

Structural Information

Molecular Formula
C11H11NO2S
SMILES
CC1=C2C(=C(C=C1)OC(=O)NC)C=CS2
InChI
InChI=1S/C11H11NO2S/c1-7-3-4-9(14-11(13)12-2)8-5-6-15-10(7)8/h3-6H,1-2H3,(H,12,13)
InChIKey
DQGSHBBIHDXYSZ-UHFFFAOYSA-N
Compound name
(7-methyl-1-benzothiophen-4-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.05106 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.05834 146.3
[M+Na]+ 244.04028 158.4
[M+NH4]+ 239.08488 155.6
[M+K]+ 260.01422 151.8
[M-H]- 220.04378 149.2
[M+Na-2H]- 242.02573 152.1
[M]+ 221.05051 149.3
[M]- 221.05161 149.3
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

No patent data available for this compound.