CID 29045035

1-[4-(aminomethyl)phenyl]-n,n-dimethylmethanesulfonamide

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CN(C)S(=O)(=O)CC1=CC=C(C=C1)CN
InChI
InChI=1S/C10H16N2O2S/c1-12(2)15(13,14)8-10-5-3-9(7-11)4-6-10/h3-6H,7-8,11H2,1-2H3
InChIKey
XTCNSZJBZXTDLJ-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]-N,N-dimethylmethanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 150.4
[M+Na]+ 251.08247 159.9
[M+NH4]+ 246.12707 157.8
[M+K]+ 267.05641 153.4
[M-H]- 227.08597 152.4
[M+Na-2H]- 249.06792 155.7
[M]+ 228.09270 152.6
[M]- 228.09380 152.6
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.