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

26
Patents

100.05243 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 119.6
[M+Na]+ 123.04165 130.1
[M-H]- 99.045154 125.0
[M+NH4]+ 118.08625 139.9
[M+K]+ 139.01559 130.1
[M+H-H2O]+ 83.049690 115.4
[M+HCOO]- 145.05063 144.3
[M+CH3COO]- 159.06628 169.2
[M+Na-2H]- 121.02710 128.7
[M]+ 100.05188 124.2
[M]- 100.05298 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