CID 121207425

3-oxabicyclo[3.1.0]hexane-1-carbaldehyde

Structural Information

Molecular Formula
C6H8O2
SMILES
C1C2C1(COC2)C=O
InChI
InChI=1S/C6H8O2/c7-3-6-1-5(6)2-8-4-6/h3,5H,1-2,4H2
InChIKey
BTMRTZQGZHCQLQ-UHFFFAOYSA-N
Compound name
3-oxabicyclo[3.1.0]hexane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 121.2
[M+Na]+ 135.04165 131.9
[M-H]- 111.04515 127.5
[M+NH4]+ 130.08625 142.3
[M+K]+ 151.01559 131.9
[M+H-H2O]+ 95.049690 117.2
[M+HCOO]- 157.05063 143.3
[M+CH3COO]- 171.06628 169.8
[M+Na-2H]- 133.02710 130.6
[M]+ 112.05188 124.8
[M]- 112.05298 124.8
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.