CID 11463

Terpinolene

Structural Information

Molecular Formula
C10H16
SMILES
CC1=CCC(=C(C)C)CC1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey
MOYAFQVGZZPNRA-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylidenecyclohexene
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

209
References

27569
Patents

136.1252 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 130.1
[M+Na]+ 159.11442 136.1
[M-H]- 135.11792 133.4
[M+NH4]+ 154.15902 152.2
[M+K]+ 175.08836 134.5
[M+H-H2O]+ 119.12246 125.1
[M+HCOO]- 181.12340 150.7
[M+CH3COO]- 195.13905 175.6
[M+Na-2H]- 157.09987 134.1
[M]+ 136.12465 126.5
[M]- 136.12575 126.5
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.