CID 78737

Cyclododecaneformylcarboxylic acid

Structural Information

Molecular Formula
C13H24O
SMILES
C1CCCCCC(CCCCC1)C=O
InChI
InChI=1S/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChIKey
KIYUNVUWDQKWPJ-UHFFFAOYSA-N
Compound name
cyclododecanecarbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

196.18271 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 146.7
[M+Na]+ 219.171928 148.4
[M-H]- 195.175434 146.4
[M+NH4]+ 214.216533 162.7
[M+K]+ 235.145868 147.6
[M+H-H2O]+ 179.179970 143.7
[M+HCOO]- 241.180911 163.3
[M+CH3COO]- 255.196561 178.0
[M+Na-2H]- 217.157376 148.3
[M]+ 196.18216142 136.2
[M]- 196.18325858 136.2
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

patents stripe