CID 56760833

9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine dihydrochloride

Structural Information

Molecular Formula
C16H24N2O
SMILES
C1COC2(CCN(CC2)CC3=CC=CC=C3)CC1N
InChI
InChI=1S/C16H24N2O/c17-15-6-11-19-16(12-15)7-9-18(10-8-16)13-14-4-2-1-3-5-14/h1-5,15H,6-13,17H2
InChIKey
ZNUBNUJFQABQLK-UHFFFAOYSA-N
Compound name
9-benzyl-1-oxa-9-azaspiro[5.5]undecan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 163.4
[M+Na]+ 283.178088 166.2
[M-H]- 259.181594 169.1
[M+NH4]+ 278.222693 178.3
[M+K]+ 299.152028 163.3
[M+H-H2O]+ 243.186130 154.0
[M+HCOO]- 305.187071 178.1
[M+CH3COO]- 319.202721 172.7
[M+Na-2H]- 281.163536 167.6
[M]+ 260.18832142 154.2
[M]- 260.18941858 154.2
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.