CID 9361736

923171-38-4

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₂S

SMILES

CC(C)NS(=O)(=O)CC1=CC=C(C=C1)CN

InChI

InChI=1S/C11H18N2O2S/c1-9(2)13-16(14,15)8-11-5-3-10(7-12)4-6-11/h3-6,9,13H,7-8,12H2,1-2H3

InChIKey

MFSMJCXBRIYZJH-UHFFFAOYSA-N

Compound name

1-[4-(aminomethyl)phenyl]-N-propan-2-ylmethanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 242.1089 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.116176	153.7
[M+Na]+	265.098118	159.8
[M-H]-	241.101624	156.6
[M+NH4]+	260.142723	170.8
[M+K]+	281.072058	156.4
[M+H-H2O]+	225.106160	147.1
[M+HCOO]-	287.107101	171.6
[M+CH3COO]-	301.122751	195.1
[M+Na-2H]-	263.083566	156.2
[M]+	242.10835142	154.4
[M]-	242.10944858	154.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe