CID 94147

(+)-cis-sabinol

Structural Information

Molecular Formula
C10H16O
SMILES
CC(C)[C@@]12C[C@@H]1C(=C)[C@@H](C2)O
InChI
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9-,10+/m1/s1
InChIKey
MDFQXBNVOAKNAY-BBBLOLIVSA-N
Compound name
(1S,3R,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

644
Patents

152.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.0
[M+Na]+ 175.10934 143.1
[M-H]- 151.11284 137.4
[M+NH4]+ 170.15394 153.7
[M+K]+ 191.08328 139.9
[M+H-H2O]+ 135.11738 129.7
[M+HCOO]- 197.11832 152.3
[M+CH3COO]- 211.13397 179.9
[M+Na-2H]- 173.09479 136.8
[M]+ 152.11957 134.4
[M]- 152.12067 134.4
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