CID 15143646

1,3,3-trimethyl-2-[(1e,3e)-3-methylpenta-1,3-dien-1-yl]cyclohexene

Structural Information

Molecular Formula
C15H24
SMILES
C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
InChI
InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+
InChIKey
KUEVAPFABUUVHS-AYCKBHPDSA-N
Compound name
1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dienyl]cyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 149.0
[M+Na]+ 227.17702 155.2
[M-H]- 203.18052 152.2
[M+NH4]+ 222.22162 170.7
[M+K]+ 243.15096 151.9
[M+H-H2O]+ 187.18506 144.4
[M+HCOO]- 249.18600 168.2
[M+CH3COO]- 263.20165 189.9
[M+Na-2H]- 225.16247 150.8
[M]+ 204.18725 147.1
[M]- 204.18835 147.1
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