CID 23008734

3-phenyl-octahydro-1h-indole

Structural Information

Molecular Formula
C14H19N
SMILES
C1CCC2C(C1)C(CN2)C3=CC=CC=C3
InChI
InChI=1S/C14H19N/c1-2-6-11(7-3-1)13-10-15-14-9-5-4-8-12(13)14/h1-3,6-7,12-15H,4-5,8-10H2
InChIKey
UWANJFHETVWHSC-UHFFFAOYSA-N
Compound name
3-phenyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.15175 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15903 147.0
[M+Na]+ 224.14097 151.4
[M-H]- 200.14447 150.5
[M+NH4]+ 219.18557 166.4
[M+K]+ 240.11491 146.6
[M+H-H2O]+ 184.14901 139.5
[M+HCOO]- 246.14995 163.4
[M+CH3COO]- 260.16560 157.8
[M+Na-2H]- 222.12642 150.0
[M]+ 201.15120 138.8
[M]- 201.15230 138.8
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.