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

263
Patents

196.18271 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 146.7
[M+Na]+ 219.17193 148.4
[M-H]- 195.17543 146.4
[M+NH4]+ 214.21653 162.7
[M+K]+ 235.14587 147.6
[M+H-H2O]+ 179.17997 143.7
[M+HCOO]- 241.18091 163.3
[M+CH3COO]- 255.19656 178.0
[M+Na-2H]- 217.15738 148.3
[M]+ 196.18216 136.2
[M]- 196.18326 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