CID 11184058

4-((pyrrolidin-1-ylsulfonyl)methyl)aniline

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)N
InChI
InChI=1S/C11H16N2O2S/c12-11-5-3-10(4-6-11)9-16(14,15)13-7-1-2-8-13/h3-6H,1-2,7-9,12H2
InChIKey
VNSKHALYBQZMFW-UHFFFAOYSA-N
Compound name
4-(pyrrolidin-1-ylsulfonylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

240.09325 Da
Monoisotopic Mass

0.8
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

literature stripe

Patent stripe

patents stripe