CID 108340

Cyclohexene, 6-(2-buten-1-ylidene)-1,5,5-trimethyl-

Structural Information

Molecular Formula
C13H20
SMILES
CC=CC=C1C(=CCCC1(C)C)C
InChI
InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h5-6,8-9H,7,10H2,1-4H3
InChIKey
BYDQKMZEOZVIJM-UHFFFAOYSA-N
Compound name
6-but-2-enylidene-1,5,5-trimethylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

260
Patents

176.1565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.16378 139.9
[M+Na]+ 199.14572 147.2
[M-H]- 175.14922 143.5
[M+NH4]+ 194.19032 162.9
[M+K]+ 215.11966 144.0
[M+H-H2O]+ 159.15376 135.5
[M+HCOO]- 221.15470 160.8
[M+CH3COO]- 235.17035 183.0
[M+Na-2H]- 197.13117 144.1
[M]+ 176.15595 138.0
[M]- 176.15705 138.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe