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 145.8
[M+Na]+ 244.04028 156.1
[M-H]- 220.04378 151.6
[M+NH4]+ 239.08488 168.0
[M+K]+ 260.01422 153.0
[M+H-H2O]+ 204.04832 140.5
[M+HCOO]- 266.04926 167.2
[M+CH3COO]- 280.06491 188.1
[M+Na-2H]- 242.02573 149.6
[M]+ 221.05051 151.3
[M]- 221.05161 151.3
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

patents stripe