CID 15856650

Bicyclo[4.1.0]heptane-1-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
C1CCC2(CC2C1)C=O
InChI
InChI=1S/C8H12O/c9-6-8-4-2-1-3-7(8)5-8/h6-7H,1-5H2
InChIKey
MZICKPWWWFMEFY-UHFFFAOYSA-N
Compound name
bicyclo[4.1.0]heptane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

124.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 128.2
[M+Na]+ 147.078028 137.0
[M-H]- 123.081534 133.4
[M+NH4]+ 142.122633 148.3
[M+K]+ 163.051968 135.7
[M+H-H2O]+ 107.086070 123.4
[M+HCOO]- 169.087011 148.8
[M+CH3COO]- 183.102661 174.0
[M+Na-2H]- 145.063476 136.7
[M]+ 124.08826142 128.4
[M]- 124.08935858 128.4
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

patents stripe