CID 126997241

1-(2-methoxyethyl)cyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C7H12O2
SMILES
COCCC1(CC1)C=O
InChI
InChI=1S/C7H12O2/c1-9-5-4-7(6-8)2-3-7/h6H,2-5H2,1H3
InChIKey
XQJSSEXOKZAWAI-UHFFFAOYSA-N
Compound name
1-(2-methoxyethyl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 128.1
[M+Na]+ 151.072938 137.8
[M-H]- 127.076444 133.1
[M+NH4]+ 146.117543 147.4
[M+K]+ 167.046878 137.3
[M+H-H2O]+ 111.080980 123.6
[M+HCOO]- 173.081921 152.2
[M+CH3COO]- 187.097571 175.0
[M+Na-2H]- 149.058386 136.2
[M]+ 128.08317142 133.5
[M]- 128.08426858 133.5
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.