CID 106808

67801-13-2

Structural Information

Molecular Formula
C13H20O
SMILES
CC(=CC1C(=C)CCCC1(C)C)C=O
InChI
InChI=1S/C13H20O/c1-10(9-14)8-12-11(2)6-5-7-13(12,3)4/h8-9,12H,2,5-7H2,1,3-4H3
InChIKey
LLJNTMFCLMRXSC-UHFFFAOYSA-N
Compound name
3-(2,2-dimethyl-6-methylidenecyclohexyl)-2-methylprop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15141 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 143.5
[M+Na]+ 215.14063 149.7
[M-H]- 191.14413 146.7
[M+NH4]+ 210.18523 165.4
[M+K]+ 231.11457 147.1
[M+H-H2O]+ 175.14867 139.2
[M+HCOO]- 237.14961 162.3
[M+CH3COO]- 251.16526 185.9
[M+Na-2H]- 213.12608 145.5
[M]+ 192.15086 140.3
[M]- 192.15196 140.3
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.