CID 53757199

1-methoxycyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H8O2
SMILES
COC1(CC1)C=O
InChI
InChI=1S/C5H8O2/c1-7-5(4-6)2-3-5/h4H,2-3H2,1H3
InChIKey
DFGXHKXIVHLRFV-UHFFFAOYSA-N
Compound name
1-methoxycyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

100.05243 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 119.6
[M+Na]+ 123.041648 130.1
[M-H]- 99.045154 125.0
[M+NH4]+ 118.086253 139.9
[M+K]+ 139.015588 130.1
[M+H-H2O]+ 83.049690 115.4
[M+HCOO]- 145.050631 144.3
[M+CH3COO]- 159.066281 169.2
[M+Na-2H]- 121.027096 128.7
[M]+ 100.05188142 124.2
[M]- 100.05297858 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