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 149.2
[M+Na]+ 251.08247 156.2
[M-H]- 227.08597 153.8
[M+NH4]+ 246.12707 167.6
[M+K]+ 267.05641 153.9
[M+H-H2O]+ 211.09051 142.5
[M+HCOO]- 273.09145 169.0
[M+CH3COO]- 287.10710 194.6
[M+Na-2H]- 249.06792 152.6
[M]+ 228.09270 151.5
[M]- 228.09380 151.5
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.