CID 11073405

Dispiro[2.0.2^{4}.1^{3}]heptane-7-carbaldehyde

Structural Information

Molecular Formula
C8H10O
SMILES
C1CC12C(C23CC3)C=O
InChI
InChI=1S/C8H10O/c9-5-6-7(1-2-7)8(6)3-4-8/h5-6H,1-4H2
InChIKey
UEKVKRRJOCIUOX-UHFFFAOYSA-N
Compound name
dispiro[2.0.24.13]heptane-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

122.073166 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 161.6
[M+Na]+ 145.06238 166.3
[M-H]- 121.06589 168.3
[M+NH4]+ 140.10699 168.0
[M+K]+ 161.03632 169.8
[M+H-H2O]+ 105.07043 158.6
[M+HCOO]- 167.07137 174.8
[M+CH3COO]- 181.08702 168.5
[M+Na-2H]- 143.04783 163.4
[M]+ 122.07262 165.5
[M]- 122.07371 165.5
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