CID 82930188

1-cycloheptylpiperidine-4-carbaldehyde

Structural Information

Molecular Formula
C13H23NO
SMILES
C1CCCC(CC1)N2CCC(CC2)C=O
InChI
InChI=1S/C13H23NO/c15-11-12-7-9-14(10-8-12)13-5-3-1-2-4-6-13/h11-13H,1-10H2
InChIKey
DWABVMILWLARHD-UHFFFAOYSA-N
Compound name
1-cycloheptylpiperidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.17796 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.18524 147.8
[M+Na]+ 232.16718 148.2
[M-H]- 208.17068 151.9
[M+NH4]+ 227.21178 163.2
[M+K]+ 248.14112 149.8
[M+H-H2O]+ 192.17522 140.3
[M+HCOO]- 254.17616 162.4
[M+CH3COO]- 268.19181 187.7
[M+Na-2H]- 230.15263 149.3
[M]+ 209.17741 136.8
[M]- 209.17851 136.8
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.