CID 439592

(+)-sabinone

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)[C@@]12C[C@@H]1C(=C)C(=O)C2
InChI
InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m1/s1
InChIKey
PBLWMCQDAGOTPV-SCZZXKLOSA-N
Compound name
(1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

150.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.7
[M+Na]+ 173.09368 143.4
[M-H]- 149.09718 138.5
[M+NH4]+ 168.13828 154.0
[M+K]+ 189.06762 140.5
[M+H-H2O]+ 133.10172 129.1
[M+HCOO]- 195.10266 153.5
[M+CH3COO]- 209.11831 181.6
[M+Na-2H]- 171.07913 136.8
[M]+ 150.10391 135.1
[M]- 150.10501 135.1
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