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]+ 137.132476 127.3
[M+Na]+ 159.114418 135.4
[M-H]- 135.117924 131.4
[M+NH4]+ 154.159023 151.8
[M+K]+ 175.088358 133.6
[M+H-H2O]+ 119.122460 123.4
[M+HCOO]- 181.123401 149.0
[M+CH3COO]- 195.139051 176.1
[M+Na-2H]- 157.099866 133.1
[M]+ 136.12465142 125.1
[M]- 136.12574858 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

literature stripe

Patent stripe

patents stripe