CID 827349

(4-(2-propylthio)phenyl)acetamide

Structural Information

Molecular Formula
C11H15NOS
SMILES
CC(C)SC1=CC=C(C=C1)CC(=O)N
InChI
InChI=1S/C11H15NOS/c1-8(2)14-10-5-3-9(4-6-10)7-11(12)13/h3-6,8H,7H2,1-2H3,(H2,12,13)
InChIKey
XGYJIDQPTJASEZ-UHFFFAOYSA-N
Compound name
2-(4-propan-2-ylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08743 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09471 146.4
[M+Na]+ 232.07665 152.8
[M-H]- 208.08015 149.6
[M+NH4]+ 227.12125 165.3
[M+K]+ 248.05059 149.7
[M+H-H2O]+ 192.08469 140.2
[M+HCOO]- 254.08563 163.6
[M+CH3COO]- 268.10128 189.3
[M+Na-2H]- 230.06210 146.6
[M]+ 209.08688 147.3
[M]- 209.08798 147.3
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.