CID 101418270

Epoxycampholenic aldehyde

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(C(CC2C1(O2)C)CC=O)C
InChI
InChI=1S/C10H16O2/c1-9(2)7(4-5-11)6-8-10(9,3)12-8/h5,7-8H,4,6H2,1-3H3
InChIKey
OSNRGQATWCHICL-UHFFFAOYSA-N
Compound name
2-(1,2,2-trimethyl-6-oxabicyclo[3.1.0]hexan-3-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.8
[M+Na]+ 191.10426 147.2
[M-H]- 167.10776 142.4
[M+NH4]+ 186.14886 157.2
[M+K]+ 207.07820 146.8
[M+H-H2O]+ 151.11230 133.0
[M+HCOO]- 213.11324 156.1
[M+CH3COO]- 227.12889 183.3
[M+Na-2H]- 189.08971 143.2
[M]+ 168.11449 142.1
[M]- 168.11559 142.1
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.