CID 137949889

4-methyl-2-oxabicyclo[2.1.1]hexane-1-carbaldehyde

Structural Information

Molecular Formula
C7H10O2
SMILES
CC12CC(C1)(OC2)C=O
InChI
InChI=1S/C7H10O2/c1-6-2-7(3-6,4-8)9-5-6/h4H,2-3,5H2,1H3
InChIKey
YGCRAEYPSSRJBC-UHFFFAOYSA-N
Compound name
4-methyl-2-oxabicyclo[2.1.1]hexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 127.2
[M+Na]+ 149.05730 135.2
[M-H]- 125.06080 129.8
[M+NH4]+ 144.10190 152.6
[M+K]+ 165.03124 137.2
[M+H-H2O]+ 109.06534 122.4
[M+HCOO]- 171.06628 145.9
[M+CH3COO]- 185.08193 175.2
[M+Na-2H]- 147.04275 138.2
[M]+ 126.06753 141.6
[M]- 126.06863 141.6
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.