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]+ 261.19615 162.6
[M+Na]+ 283.17809 166.4
[M-H]- 259.18159 168.8
[M+NH4]+ 278.22269 179.6
[M+K]+ 299.15203 163.3
[M+H-H2O]+ 243.18613 154.1
[M+HCOO]- 305.18707 179.7
[M+CH3COO]- 319.20272 172.8
[M+Na-2H]- 281.16354 165.2
[M]+ 260.18832 155.7
[M]- 260.18942 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.