CID 10197619

1-methylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H8O
SMILES
CC1(CC1)C=O
InChI
InChI=1S/C5H8O/c1-5(4-6)2-3-5/h4H,2-3H2,1H3
InChIKey
DOJZSEYEQKWUSI-UHFFFAOYSA-N
Compound name
1-methylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

867
Patents

84.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 115.7
[M+Na]+ 107.046738 126.2
[M-H]- 83.050244 121.2
[M+NH4]+ 102.091343 136.7
[M+K]+ 123.020678 126.0
[M+H-H2O]+ 67.054780 111.7
[M+HCOO]- 129.055721 140.2
[M+CH3COO]- 143.071371 167.4
[M+Na-2H]- 105.032186 124.9
[M]+ 84.05697142 118.9
[M]- 84.05806858 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe