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]+ 210.094706 146.4
[M+Na]+ 232.076648 152.8
[M-H]- 208.080154 149.6
[M+NH4]+ 227.121253 165.3
[M+K]+ 248.050588 149.7
[M+H-H2O]+ 192.084690 140.2
[M+HCOO]- 254.085631 163.6
[M+CH3COO]- 268.101281 189.3
[M+Na-2H]- 230.062096 146.6
[M]+ 209.08688142 147.3
[M]- 209.08797858 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.