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]+ 255.116176 157.5
[M+Na]+ 277.098118 165.0
[M-H]- 253.101624 162.6
[M+NH4]+ 272.142723 175.1
[M+K]+ 293.072058 161.1
[M+H-H2O]+ 237.106160 150.9
[M+HCOO]- 299.107101 173.7
[M+CH3COO]- 313.122751 192.4
[M+Na-2H]- 275.083566 158.1
[M]+ 254.10835142 156.8
[M]- 254.10944858 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.