CID 9587905

57988-74-6

Structural Information

Molecular Formula
C12H16N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)/N=C/N2CCCC2
InChI
InChI=1S/C12H16N2O2S/c1-11-4-6-12(7-5-11)17(15,16)13-10-14-8-2-3-9-14/h4-7,10H,2-3,8-9H2,1H3/b13-10+
InChIKey
YZVBSAOKNFRSSD-JLHYYAGUSA-N
Compound name
(NE)-4-methyl-N-(pyrrolidin-1-ylmethylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.09325 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10053 156.8
[M+Na]+ 275.08247 164.4
[M-H]- 251.08597 163.6
[M+NH4]+ 270.12707 175.3
[M+K]+ 291.05641 161.1
[M+H-H2O]+ 235.09051 149.7
[M+HCOO]- 297.09145 175.4
[M+CH3COO]- 311.10710 192.9
[M+Na-2H]- 273.06792 159.4
[M]+ 252.09270 157.8
[M]- 252.09380 157.8
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

No patent data available for this compound.