CID 13928494

Spiro[2.4]heptane-5-carbaldehyde

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC2(CC2)CC1C=O
InChI
InChI=1S/C8H12O/c9-6-7-1-2-8(5-7)3-4-8/h6-7H,1-5H2
InChIKey
ZKFWCKNTKRFYSV-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 126.9
[M+Na]+ 147.07803 136.3
[M-H]- 123.08153 133.6
[M+NH4]+ 142.12263 148.1
[M+K]+ 163.05197 134.7
[M+H-H2O]+ 107.08607 122.4
[M+HCOO]- 169.08701 149.6
[M+CH3COO]- 183.10266 172.7
[M+Na-2H]- 145.06348 133.3
[M]+ 124.08826 127.3
[M]- 124.08936 127.3
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.