CID 123403367

Ckqhscyuyihpka-uhfffaoysa-n

Structural Information

Molecular Formula
C14H24O
SMILES
CC1CC(CC1=CCCCCC=O)(C)C
InChI
InChI=1S/C14H24O/c1-12-10-14(2,3)11-13(12)8-6-4-5-7-9-15/h8-9,12H,4-7,10-11H2,1-3H3
InChIKey
CKQHSCYUYIHPKA-UHFFFAOYSA-N
Compound name
6-(2,4,4-trimethylcyclopentylidene)hexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 153.1
[M+Na]+ 231.17193 162.8
[M+NH4]+ 226.21653 162.5
[M+K]+ 247.14587 155.2
[M-H]- 207.17543 154.2
[M+Na-2H]- 229.15738 157.3
[M]+ 208.18216 154.8
[M]- 208.18326 154.8
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

patents stripe