CID 101153

Pinol

Structural Information

Molecular Formula
C10H16O
SMILES
CC1=CCC2CC1OC2(C)C
InChI
InChI=1S/C10H16O/c1-7-4-5-8-6-9(7)11-10(8,2)3/h4,8-9H,5-6H2,1-3H3
InChIKey
SKBXVAOMEVOTGJ-UHFFFAOYSA-N
Compound name
4,7,7-trimethyl-6-oxabicyclo[3.2.1]oct-3-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

1854
Patents

152.12012 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 131.5
[M+Na]+ 175.10934 140.2
[M-H]- 151.11284 135.5
[M+NH4]+ 170.15394 157.5
[M+K]+ 191.08328 139.4
[M+H-H2O]+ 135.11738 127.9
[M+HCOO]- 197.11832 151.2
[M+CH3COO]- 211.13397 177.8
[M+Na-2H]- 173.09479 138.7
[M]+ 152.11957 132.0
[M]- 152.12067 132.0
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