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]+ 125.096086 135.8
[M+Na]+ 147.078028 144.8
[M-H]- 123.081534 143.6
[M+NH4]+ 142.122633 146.9
[M+K]+ 163.051968 143.2
[M+H-H2O]+ 107.086070 130.2
[M+HCOO]- 169.087011 156.7
[M+CH3COO]- 183.102661 187.5
[M+Na-2H]- 145.063476 139.4
[M]+ 124.08826142 140.1
[M]- 124.08935858 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.