CID 16227636

2-(aminomethyl)-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CN(C)S(=O)(=O)C1=CC=CC=C1CN
InChI
InChI=1S/C9H14N2O2S/c1-11(2)14(12,13)9-6-4-3-5-8(9)7-10/h3-6H,7,10H2,1-2H3
InChIKey
WQMFADOHVUURRX-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

214.0776 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.084876 144.7
[M+Na]+ 237.066818 152.2
[M-H]- 213.070324 149.5
[M+NH4]+ 232.111423 163.7
[M+K]+ 253.040758 150.1
[M+H-H2O]+ 197.074860 138.2
[M+HCOO]- 259.075801 164.8
[M+CH3COO]- 273.091451 191.6
[M+Na-2H]- 235.052266 148.7
[M]+ 214.07705142 146.7
[M]- 214.07814858 146.7
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