CID 118569

N-(2-phenylethyl)methanesulfonamide

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CS(=O)(=O)NCCC1=CC=CC=C1
InChI
InChI=1S/C9H13NO2S/c1-13(11,12)10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
JGDDFCYMSLNOGJ-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

165
Patents

199.0667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.073976 141.0
[M+Na]+ 222.055918 148.5
[M-H]- 198.059424 144.7
[M+NH4]+ 217.100523 160.4
[M+K]+ 238.029858 145.5
[M+H-H2O]+ 182.063960 135.0
[M+HCOO]- 244.064901 160.5
[M+CH3COO]- 258.080551 182.7
[M+Na-2H]- 220.041366 146.8
[M]+ 199.06615142 143.2
[M]- 199.06724858 143.2
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