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]+ 125.096086 126.9
[M+Na]+ 147.078028 136.3
[M-H]- 123.081534 133.6
[M+NH4]+ 142.122633 148.1
[M+K]+ 163.051968 134.7
[M+H-H2O]+ 107.086070 122.4
[M+HCOO]- 169.087011 149.6
[M+CH3COO]- 183.102661 172.7
[M+Na-2H]- 145.063476 133.3
[M]+ 124.08826142 127.3
[M]- 124.08935858 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.