CID 14896

Beta-pinene

Structural Information

Molecular Formula
C10H16
SMILES
CC1(C2CCC(=C)C1C2)C
InChI
InChI=1S/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
InChIKey
WTARULDDTDQWMU-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

736
References

74495
Patents

136.1252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.13248 139.4
[M+Na]+ 159.11442 145.8
[M-H]- 135.11792 139.3
[M+NH4]+ 154.15902 161.4
[M+K]+ 175.08836 146.0
[M+H-H2O]+ 119.12246 131.9
[M+HCOO]- 181.12340 153.0
[M+CH3COO]- 195.13905 184.1
[M+Na-2H]- 157.09987 148.7
[M]+ 136.12465 149.2
[M]- 136.12575 149.2
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.