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 145.9
[M+Na]+ 254.15153 149.2
[M-H]- 230.15503 153.0
[M+NH4]+ 249.19613 152.3
[M+K]+ 270.12547 151.9
[M+H-H2O]+ 214.15957 130.4
[M+HCOO]- 276.16051 164.4
[M+CH3COO]- 290.17616 204.0
[M+Na-2H]- 252.13698 150.3
[M]+ 231.16176 159.8
[M]- 231.16286 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.