CID 130994053

N-benzylspiro[3.4]octan-5-amine

Structural Information

Molecular Formula
C15H21N
SMILES
C1CC(C2(C1)CCC2)NCC3=CC=CC=C3
InChI
InChI=1S/C15H21N/c1-2-6-13(7-3-1)12-16-14-8-4-9-15(14)10-5-11-15/h1-3,6-7,14,16H,4-5,8-12H2
InChIKey
MFDAPFSBEHYLQY-UHFFFAOYSA-N
Compound name
N-benzylspiro[3.4]octan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17468 146.5
[M+Na]+ 238.15662 149.9
[M-H]- 214.16012 154.3
[M+NH4]+ 233.20122 161.9
[M+K]+ 254.13056 149.1
[M+H-H2O]+ 198.16466 135.1
[M+HCOO]- 260.16560 167.8
[M+CH3COO]- 274.18125 191.8
[M+Na-2H]- 236.14207 151.2
[M]+ 215.16685 150.1
[M]- 215.16795 150.1
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.