CID 66841

Beta-terpinene

Structural Information

Molecular Formula
C10H16
SMILES
CC(C)C1=CCC(=C)CC1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h6,8H,3-5,7H2,1-2H3
InChIKey
SCWPFSIZUZUCCE-UHFFFAOYSA-N
Compound name
4-methylidene-1-propan-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

254
References

1589
Patents

136.1252 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 129.9
[M+Na]+ 159.114418 135.8
[M-H]- 135.117924 133.2
[M+NH4]+ 154.159023 151.9
[M+K]+ 175.088358 134.2
[M+H-H2O]+ 119.122460 124.9
[M+HCOO]- 181.123401 150.5
[M+CH3COO]- 195.139051 176.3
[M+Na-2H]- 157.099866 133.9
[M]+ 136.12465142 126.4
[M]- 136.12574858 126.4
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