CID 19911588

7-oxabicyclo[2.2.1]heptane-2-carbaldehyde

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC2C(CC1O2)C=O
InChI
InChI=1S/C7H10O2/c8-4-5-3-6-1-2-7(5)9-6/h4-7H,1-3H2
InChIKey
UQBTXMZEYAAYHY-UHFFFAOYSA-N
Compound name
7-oxabicyclo[2.2.1]heptane-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

126.06808 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 124.0
[M+Na]+ 149.05730 132.0
[M-H]- 125.06080 127.6
[M+NH4]+ 144.10190 150.1
[M+K]+ 165.03124 132.1
[M+H-H2O]+ 109.06534 120.7
[M+HCOO]- 171.06628 145.7
[M+CH3COO]- 185.08193 169.8
[M+Na-2H]- 147.04275 129.9
[M]+ 126.06753 124.2
[M]- 126.06863 124.2
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

patents stripe