CID 68140

P-mentha-1(7),8-diene

Structural Information

Molecular Formula
C10H16
SMILES
CC(=C)C1CCC(=C)CC1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3
InChIKey
GOQRXDTWKVYHJH-UHFFFAOYSA-N
Compound name
1-methylidene-4-prop-1-en-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

20
References

207
Patents

136.1252 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 130.5
[M+Na]+ 159.114418 135.6
[M-H]- 135.117924 133.4
[M+NH4]+ 154.159023 152.2
[M+K]+ 175.088358 133.6
[M+H-H2O]+ 119.122460 125.5
[M+HCOO]- 181.123401 149.7
[M+CH3COO]- 195.139051 175.7
[M+Na-2H]- 157.099866 133.4
[M]+ 136.12465142 124.8
[M]- 136.12574858 124.8
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