CID 138987476

1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O2
SMILES
COCC1(CC=CC1)C=O
InChI
InChI=1S/C8H12O2/c1-10-7-8(6-9)4-2-3-5-8/h2-3,6H,4-5,7H2,1H3
InChIKey
MATKIWNRGZUHOU-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)cyclopent-3-ene-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.2
[M+Na]+ 163.07294 136.1
[M-H]- 139.07644 131.9
[M+NH4]+ 158.11754 153.5
[M+K]+ 179.04688 135.4
[M+H-H2O]+ 123.08098 123.9
[M+HCOO]- 185.08192 153.0
[M+CH3COO]- 199.09757 171.5
[M+Na-2H]- 161.05839 134.9
[M]+ 140.08317 129.5
[M]- 140.08427 129.5
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.