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]+ 169.122316 138.0
[M+Na]+ 191.104258 145.0
[M-H]- 167.107764 145.6
[M+NH4]+ 186.148863 153.9
[M+K]+ 207.078198 145.4
[M+H-H2O]+ 151.112300 132.1
[M+HCOO]- 213.113241 157.6
[M+CH3COO]- 227.128891 180.2
[M+Na-2H]- 189.089706 145.1
[M]+ 168.11449142 138.5
[M]- 168.11558858 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.