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]+ 232.16959 156.6
[M+Na]+ 254.15153 158.8
[M+NH4]+ 249.19613 158.9
[M+K]+ 270.12547 154.1
[M-H]- 230.15503 156.2
[M+Na-2H]- 252.13698 159.6
[M]+ 231.16176 154.7
[M]- 231.16286 154.7
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.