CID 7460

Alpha-phellandrene

Structural Information

Molecular Formula
C10H16
SMILES
CC1=CCC(C=C1)C(C)C
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
InChIKey
OGLDWXZKYODSOB-UHFFFAOYSA-N
Compound name
2-methyl-5-propan-2-ylcyclohexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

144
References

6575
Patents

136.1252 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 129.4
[M+Na]+ 159.11442 136.1
[M-H]- 135.11792 133.0
[M+NH4]+ 154.15902 151.6
[M+K]+ 175.08836 134.8
[M+H-H2O]+ 119.12246 124.3
[M+HCOO]- 181.12340 151.2
[M+CH3COO]- 195.13905 176.8
[M+Na-2H]- 157.09987 134.4
[M]+ 136.12465 128.0
[M]- 136.12575 128.0
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.