CID 578237

514-95-4

Structural Information

Molecular Formula
C10H16
SMILES
CC1=CCCC(C1=C)(C)C
InChI
InChI=1S/C10H16/c1-8-6-5-7-10(3,4)9(8)2/h6H,2,5,7H2,1,3-4H3
InChIKey
FMXKKHBXBBAQBC-UHFFFAOYSA-N
Compound name
1,5,5-trimethyl-6-methylidenecyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

136.1252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 127.3
[M+Na]+ 159.11442 135.4
[M-H]- 135.11792 131.4
[M+NH4]+ 154.15902 151.8
[M+K]+ 175.08836 133.6
[M+H-H2O]+ 119.12246 123.4
[M+HCOO]- 181.12340 149.0
[M+CH3COO]- 195.13905 176.1
[M+Na-2H]- 157.09987 133.1
[M]+ 136.12465 125.1
[M]- 136.12575 125.1
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.