CID 65009494

[2-(3-methoxyphenyl)spiro[3.3]heptan-2-yl]methanamine

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]+ 232.169586 149.7
[M+Na]+ 254.151528 153.9
[M-H]- 230.155034 157.3
[M+NH4]+ 249.196133 158.0
[M+K]+ 270.125468 156.5
[M+H-H2O]+ 214.159570 135.5
[M+HCOO]- 276.160511 168.1
[M+CH3COO]- 290.176161 203.7
[M+Na-2H]- 252.136976 154.7
[M]+ 231.16176142 164.0
[M]- 231.16285858 164.0
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.