CID 154828524

4-(2-methylcyclopropyl)butanal

Structural Information

Molecular Formula
C8H14O
SMILES
CC1CC1CCCC=O
InChI
InChI=1S/C8H14O/c1-7-6-8(7)4-2-3-5-9/h5,7-8H,2-4,6H2,1H3
InChIKey
KRWXYIFAXTZWPZ-UHFFFAOYSA-N
Compound name
4-(2-methylcyclopropyl)butanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.3
[M+Na]+ 149.093678 136.9
[M-H]- 125.097184 132.2
[M+NH4]+ 144.138283 145.1
[M+K]+ 165.067618 134.9
[M+H-H2O]+ 109.101720 121.8
[M+HCOO]- 171.102661 151.2
[M+CH3COO]- 185.118311 177.5
[M+Na-2H]- 147.079126 133.4
[M]+ 126.10391142 131.6
[M]- 126.10500858 131.6
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.