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]+ 216.174676 146.5
[M+Na]+ 238.156618 149.9
[M-H]- 214.160124 154.3
[M+NH4]+ 233.201223 161.9
[M+K]+ 254.130558 149.1
[M+H-H2O]+ 198.164660 135.1
[M+HCOO]- 260.165601 167.8
[M+CH3COO]- 274.181251 191.8
[M+Na-2H]- 236.142066 151.2
[M]+ 215.16685142 150.1
[M]- 215.16794858 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.