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]+ 125.09609 128.2
[M+Na]+ 147.07803 137.0
[M-H]- 123.08153 133.4
[M+NH4]+ 142.12263 148.3
[M+K]+ 163.05197 135.7
[M+H-H2O]+ 107.08607 123.4
[M+HCOO]- 169.08701 148.8
[M+CH3COO]- 183.10266 174.0
[M+Na-2H]- 145.06348 136.7
[M]+ 124.08826 128.4
[M]- 124.08936 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