CID 54595862

3-[1-(1,3-dioxolan-2-yl)cycloheptyl]propan-1-amine

Structural Information

Molecular Formula
C13H25NO2
SMILES
C1CCCC(CC1)(CCCN)C2OCCO2
InChI
InChI=1S/C13H25NO2/c14-9-5-8-13(12-15-10-11-16-12)6-3-1-2-4-7-13/h12H,1-11,14H2
InChIKey
UVHCOFKIACBCIP-UHFFFAOYSA-N
Compound name
3-[1-(1,3-dioxolan-2-yl)cycloheptyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.18852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.195796 152.6
[M+Na]+ 250.177738 152.7
[M-H]- 226.181244 158.8
[M+NH4]+ 245.222343 168.9
[M+K]+ 266.151678 155.6
[M+H-H2O]+ 210.185780 146.1
[M+HCOO]- 272.186721 168.8
[M+CH3COO]- 286.202371 190.1
[M+Na-2H]- 248.163186 155.4
[M]+ 227.18797142 144.3
[M]- 227.18906858 144.3
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.