CID 138987503

6-[(benzyloxy)methyl]spiro[3.3]heptan-2-amine

Structural Information

Molecular Formula
C15H21NO
SMILES
C1C(CC12CC(C2)N)COCC3=CC=CC=C3
InChI
InChI=1S/C15H21NO/c16-14-8-15(9-14)6-13(7-15)11-17-10-12-4-2-1-3-5-12/h1-5,13-14H,6-11,16H2
InChIKey
QUBUPLNGAZQAQR-UHFFFAOYSA-N
Compound name
6-(phenylmethoxymethyl)spiro[3.3]heptan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 145.9
[M+Na]+ 254.151528 149.2
[M-H]- 230.155034 153.0
[M+NH4]+ 249.196133 152.3
[M+K]+ 270.125468 151.9
[M+H-H2O]+ 214.159570 130.4
[M+HCOO]- 276.160511 164.4
[M+CH3COO]- 290.176161 204.0
[M+Na-2H]- 252.136976 150.3
[M]+ 231.16176142 159.8
[M]- 231.16285858 159.8
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.