CID 86031145

2-cyclopropyl-3-methylcyclopropane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
CC1C(C1C2CC2)C=O
InChI
InChI=1S/C8H12O/c1-5-7(4-9)8(5)6-2-3-6/h4-8H,2-3H2,1H3
InChIKey
XCQPMRZCCKATIP-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3-methylcyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 135.8
[M+Na]+ 147.07803 144.8
[M-H]- 123.08153 143.6
[M+NH4]+ 142.12263 146.9
[M+K]+ 163.05197 143.2
[M+H-H2O]+ 107.08607 130.2
[M+HCOO]- 169.08701 156.7
[M+CH3COO]- 183.10266 187.5
[M+Na-2H]- 145.06348 139.4
[M]+ 124.08826 140.1
[M]- 124.08936 140.1
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.