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

14
Patents

242.1089 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11618 153.7
[M+Na]+ 265.09812 159.8
[M-H]- 241.10162 156.6
[M+NH4]+ 260.14272 170.8
[M+K]+ 281.07206 156.4
[M+H-H2O]+ 225.10616 147.1
[M+HCOO]- 287.10710 171.6
[M+CH3COO]- 301.12275 195.1
[M+Na-2H]- 263.08357 156.2
[M]+ 242.10835 154.4
[M]- 242.10945 154.4
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

patents stripe