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]+ 228.19580 152.6
[M+Na]+ 250.17774 152.7
[M-H]- 226.18124 158.8
[M+NH4]+ 245.22234 168.9
[M+K]+ 266.15168 155.6
[M+H-H2O]+ 210.18578 146.1
[M+HCOO]- 272.18672 168.8
[M+CH3COO]- 286.20237 190.1
[M+Na-2H]- 248.16319 155.4
[M]+ 227.18797 144.3
[M]- 227.18907 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.