CID 123403367

6-(2,4,4-trimethylcyclopentylidene)hexanal

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 150.7
[M+Na]+ 231.17193 157.3
[M-H]- 207.17543 153.7
[M+NH4]+ 226.21653 173.9
[M+K]+ 247.14587 154.2
[M+H-H2O]+ 191.17997 146.3
[M+HCOO]- 253.18091 172.0
[M+CH3COO]- 267.19656 188.8
[M+Na-2H]- 229.15738 152.0
[M]+ 208.18216 151.2
[M]- 208.18326 151.2
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