CID 131770054

Lorcaserinsulfamate

Structural Information

Molecular Formula
C11H14ClNO3S
SMILES
CC1CN(CCC2=C1C=C(C=C2)Cl)S(=O)(=O)O
InChI
InChI=1S/C11H14ClNO3S/c1-8-7-13(17(14,15)16)5-4-9-2-3-10(12)6-11(8)9/h2-3,6,8H,4-5,7H2,1H3,(H,14,15,16)
InChIKey
YZUNJIOOIHWHGQ-UHFFFAOYSA-N
Compound name
7-chloro-5-methyl-1,2,4,5-tetrahydro-3-benzazepine-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0383 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04558 154.3
[M+Na]+ 298.02752 162.2
[M-H]- 274.03102 157.4
[M+NH4]+ 293.07212 170.3
[M+K]+ 314.00146 162.5
[M+H-H2O]+ 258.03556 149.5
[M+HCOO]- 320.03650 162.1
[M+CH3COO]- 334.05215 192.7
[M+Na-2H]- 296.01297 157.5
[M]+ 275.03775 153.8
[M]- 275.03885 153.8
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.