CID 130631678

4-(cyclopropylmethyl)oxane-4-carbaldehyde

Structural Information

Molecular Formula
C10H16O2
SMILES
C1CC1CC2(CCOCC2)C=O
InChI
InChI=1S/C10H16O2/c11-8-10(7-9-1-2-9)3-5-12-6-4-10/h8-9H,1-7H2
InChIKey
LXPMNOQMGYHHBQ-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethyl)oxane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 138.0
[M+Na]+ 191.10426 145.0
[M-H]- 167.10776 145.6
[M+NH4]+ 186.14886 153.9
[M+K]+ 207.07820 145.4
[M+H-H2O]+ 151.11230 132.1
[M+HCOO]- 213.11324 157.6
[M+CH3COO]- 227.12889 180.2
[M+Na-2H]- 189.08971 145.1
[M]+ 168.11449 138.5
[M]- 168.11559 138.5
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

No patent data available for this compound.