CID 13379958

2-methylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C5H8O
SMILES
CC1CC1C=O
InChI
InChI=1S/C5H8O/c1-4-2-5(4)3-6/h3-5H,2H2,1H3
InChIKey
LUAHIAJUNPNXHL-UHFFFAOYSA-N
Compound name
2-methylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

84.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.4
[M+Na]+ 107.046738 125.1
[M-H]- 83.050244 119.8
[M+NH4]+ 102.091343 133.8
[M+K]+ 123.020678 123.9
[M+H-H2O]+ 67.054780 109.4
[M+HCOO]- 129.055721 139.2
[M+CH3COO]- 143.071371 168.8
[M+Na-2H]- 105.032186 122.0
[M]+ 84.05697142 117.5
[M]- 84.05806858 117.5
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