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

9648
Patents

136.1252 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.132476 131.0
[M+Na]+ 159.114418 140.5
[M-H]- 135.117924 136.4
[M+NH4]+ 154.159023 152.7
[M+K]+ 175.088358 138.1
[M+H-H2O]+ 119.122460 126.9
[M+HCOO]- 181.123401 151.5
[M+CH3COO]- 195.139051 179.5
[M+Na-2H]- 157.099866 135.6
[M]+ 136.12465142 132.2
[M]- 136.12574858 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

literature stripe

Patent stripe

patents stripe