CID 131419462

2-(4-methyloxan-4-yl)acetaldehyde

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CCOCC1)CC=O
InChI
InChI=1S/C8H14O2/c1-8(2-5-9)3-6-10-7-4-8/h5H,2-4,6-7H2,1H3
InChIKey
VMQDHALQCPVJEM-UHFFFAOYSA-N
Compound name
2-(4-methyloxan-4-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 129.0
[M+Na]+ 165.08860 135.0
[M-H]- 141.09210 132.8
[M+NH4]+ 160.13320 151.1
[M+K]+ 181.06254 135.8
[M+H-H2O]+ 125.09664 124.4
[M+HCOO]- 187.09758 149.4
[M+CH3COO]- 201.11323 172.1
[M+Na-2H]- 163.07405 137.1
[M]+ 142.09883 127.4
[M]- 142.09993 127.4
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