CID 156403

Benzeneethanethioamide, 4-methoxy-n,n-dimethyl-

Structural Information

Molecular Formula
C11H15NOS
SMILES
CN(C)C(=S)CC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H15NOS/c1-12(2)11(14)8-9-4-6-10(13-3)7-5-9/h4-7H,8H2,1-3H3
InChIKey
OHDHFDYXYQEOQI-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

209.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.094706 145.8
[M+Na]+ 232.076648 152.7
[M-H]- 208.080154 151.0
[M+NH4]+ 227.121253 165.8
[M+K]+ 248.050588 151.0
[M+H-H2O]+ 192.084690 139.3
[M+HCOO]- 254.085631 165.1
[M+CH3COO]- 268.101281 191.9
[M+Na-2H]- 230.062096 147.5
[M]+ 209.08688142 149.5
[M]- 209.08797858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe