CID 93392290

Uvt

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
C[C@H]1CCCN1S(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C12H18N2O2S/c1-10-3-2-8-14(10)17(15,16)12-6-4-11(9-13)5-7-12/h4-7,10H,2-3,8-9,13H2,1H3/t10-/m0/s1
InChIKey
HDHIDGFHJFOIQF-JTQLQIEISA-N
Compound name
[4-[(2S)-2-methylpyrrolidin-1-yl]sulfonylphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11618 157.5
[M+Na]+ 277.09812 165.0
[M-H]- 253.10162 162.6
[M+NH4]+ 272.14272 175.1
[M+K]+ 293.07206 161.1
[M+H-H2O]+ 237.10616 150.9
[M+HCOO]- 299.10710 173.7
[M+CH3COO]- 313.12275 192.4
[M+Na-2H]- 275.08357 158.1
[M]+ 254.10835 156.8
[M]- 254.10945 156.8
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.