CID 274476

1,2-campholide

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(C2CCC1(OC(=O)C2)C)C
InChI
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)12-8(11)6-7/h7H,4-6H2,1-3H3
InChIKey
AXRMSBLBSHJLGO-UHFFFAOYSA-N
Compound name
1,8,8-trimethyl-2-oxabicyclo[3.2.1]octan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10
Patents

168.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 133.6
[M+Na]+ 191.10426 142.4
[M-H]- 167.10776 137.5
[M+NH4]+ 186.14886 160.6
[M+K]+ 207.07820 141.8
[M+H-H2O]+ 151.11230 130.6
[M+HCOO]- 213.11324 152.1
[M+CH3COO]- 227.12889 179.2
[M+Na-2H]- 189.08971 141.1
[M]+ 168.11449 133.8
[M]- 168.11559 133.8
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.