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]+ 202.159026 147.0
[M+Na]+ 224.140968 151.4
[M-H]- 200.144474 150.5
[M+NH4]+ 219.185573 166.4
[M+K]+ 240.114908 146.6
[M+H-H2O]+ 184.149010 139.5
[M+HCOO]- 246.149951 163.4
[M+CH3COO]- 260.165601 157.8
[M+Na-2H]- 222.126416 150.0
[M]+ 201.15120142 138.8
[M]- 201.15229858 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.