CID 18818

Sabinene

Structural Information

Molecular Formula
C10H16
SMILES
CC(C)C12CCC(=C)C1C2
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
InChIKey
NDVASEGYNIMXJL-UHFFFAOYSA-N
Compound name
4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

310
References

10182
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 131.0
[M+Na]+ 159.11442 140.5
[M-H]- 135.11792 136.4
[M+NH4]+ 154.15902 152.7
[M+K]+ 175.08836 138.1
[M+H-H2O]+ 119.12246 126.9
[M+HCOO]- 181.12340 151.5
[M+CH3COO]- 195.13905 179.5
[M+Na-2H]- 157.09987 135.6
[M]+ 136.12465 132.2
[M]- 136.12575 132.2
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.