CID 22404515

6-methoxyhexanal

Structural Information

Molecular Formula
C7H14O2
SMILES
COCCCCCC=O
InChI
InChI=1S/C7H14O2/c1-9-7-5-3-2-4-6-8/h6H,2-5,7H2,1H3
InChIKey
AFSOGVGHFCKBOW-UHFFFAOYSA-N
Compound name
6-methoxyhexanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

130.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.7
[M+Na]+ 153.08860 134.8
[M-H]- 129.09210 127.8
[M+NH4]+ 148.13320 149.9
[M+K]+ 169.06254 134.8
[M+H-H2O]+ 113.09664 123.1
[M+HCOO]- 175.09758 151.9
[M+CH3COO]- 189.11323 173.3
[M+Na-2H]- 151.07405 134.4
[M]+ 130.09883 131.6
[M]- 130.09993 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe