CID 65009494

1469296-06-7

Structural Information

Molecular Formula
C15H21NO
SMILES
COC1=CC=CC(=C1)C2(CC3(C2)CCC3)CN
InChI
InChI=1S/C15H21NO/c1-17-13-5-2-4-12(8-13)15(11-16)9-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-11,16H2,1H3
InChIKey
CVDPUIVMNHNXGY-UHFFFAOYSA-N
Compound name
[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 157.0
[M+Na]+ 254.15153 159.3
[M+NH4]+ 249.19613 160.5
[M+K]+ 270.12547 153.1
[M-H]- 230.15503 156.5
[M+Na-2H]- 252.13698 161.3
[M]+ 231.16176 155.3
[M]- 231.16286 155.3
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.