CID 16791255

[4-(1-pyrrolidinylsulfonyl)phenyl]methanamine

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H16N2O2S/c12-9-10-3-5-11(6-4-10)16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKey
NITKDGDSVDJQFD-UHFFFAOYSA-N
Compound name
(4-pyrrolidin-1-ylsulfonylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

240.09325 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 153.2
[M+Na]+ 263.08247 160.3
[M-H]- 239.08597 158.1
[M+NH4]+ 258.12707 171.1
[M+K]+ 279.05641 156.6
[M+H-H2O]+ 223.09051 146.5
[M+HCOO]- 285.09145 169.8
[M+CH3COO]- 299.10710 188.2
[M+Na-2H]- 261.06792 154.9
[M]+ 240.09270 151.7
[M]- 240.09380 151.7
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