CID 82276928

5'-chloro-1',2'-dihydrospiro[cyclopentane-1,3'-indole]

Structural Information

Molecular Formula
C12H14ClN
SMILES
C1CCC2(C1)CNC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C12H14ClN/c13-9-3-4-11-10(7-9)12(8-14-11)5-1-2-6-12/h3-4,7,14H,1-2,5-6,8H2
InChIKey
WREHHKXVAFXDPH-UHFFFAOYSA-N
Compound name
5-chlorospiro[1,2-dihydroindole-3,1'-cyclopentane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

207.08148 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.08876 148.3
[M+Na]+ 230.07070 157.1
[M-H]- 206.07420 152.1
[M+NH4]+ 225.11530 172.9
[M+K]+ 246.04464 150.8
[M+H-H2O]+ 190.07874 142.6
[M+HCOO]- 252.07968 163.0
[M+CH3COO]- 266.09533 160.7
[M+Na-2H]- 228.05615 151.4
[M]+ 207.08093 144.7
[M]- 207.08203 144.7
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

patents stripe