CID 91508

Alpha-pinene oxide

Structural Information

Molecular Formula
C10H16O
SMILES
CC1(C2CC1C3(C(C2)O3)C)C
InChI
InChI=1S/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
InChIKey
NQFUSWIGRKFAHK-UHFFFAOYSA-N
Compound name
2,7,7-trimethyl-3-oxatricyclo[4.1.1.02,4]octane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

36
References

4196
Patents

152.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 141.8
[M+Na]+ 175.10934 151.0
[M-H]- 151.11284 146.0
[M+NH4]+ 170.15394 159.1
[M+K]+ 191.08328 152.9
[M+H-H2O]+ 135.11738 133.6
[M+HCOO]- 197.11832 153.8
[M+CH3COO]- 211.13397 154.2
[M+Na-2H]- 173.09479 152.9
[M]+ 152.11957 157.0
[M]- 152.12067 157.0
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.