CID 10240829

2-ethyloxan-4-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC1CC(CCO1)O
InChI
InChI=1S/C7H14O2/c1-2-7-5-6(8)3-4-9-7/h6-8H,2-5H2,1H3
InChIKey
MXUDKCAUJBPFFS-UHFFFAOYSA-N
Compound name
2-ethyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

130.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 127.0
[M+Na]+ 153.08860 132.6
[M-H]- 129.09210 129.4
[M+NH4]+ 148.13320 147.1
[M+K]+ 169.06254 133.0
[M+H-H2O]+ 113.09664 122.1
[M+HCOO]- 175.09758 145.9
[M+CH3COO]- 189.11323 168.8
[M+Na-2H]- 151.07405 133.2
[M]+ 130.09883 123.9
[M]- 130.09993 123.9
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