CID 119056843

{2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl}methanamine

Structural Information

Molecular Formula
C16H24N2O
SMILES
C1COCCC12CN(CC2CN)CC3=CC=CC=C3
InChI
InChI=1S/C16H24N2O/c17-10-15-12-18(11-14-4-2-1-3-5-14)13-16(15)6-8-19-9-7-16/h1-5,15H,6-13,17H2
InChIKey
IKQSGNVRSNCGPI-UHFFFAOYSA-N
Compound name
(2-benzyl-8-oxa-2-azaspiro[4.5]decan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 162.6
[M+Na]+ 283.178088 166.4
[M-H]- 259.181594 168.8
[M+NH4]+ 278.222693 179.6
[M+K]+ 299.152028 163.3
[M+H-H2O]+ 243.186130 154.1
[M+HCOO]- 305.187071 179.7
[M+CH3COO]- 319.202721 172.8
[M+Na-2H]- 281.163536 165.2
[M]+ 260.18832142 155.7
[M]- 260.18941858 155.7
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

No patent data available for this compound.