CID 6551

78-72-8

Structural Information

Molecular Formula
C8H16O2
SMILES
CCCC1C(O1)(CC)CO
InChI
InChI=1S/C8H16O2/c1-3-5-7-8(4-2,6-9)10-7/h7,9H,3-6H2,1-2H3
InChIKey
VSHXAKJGKGGKKE-UHFFFAOYSA-N
Compound name
(2-ethyl-3-propyloxiran-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

144.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 131.1
[M+Na]+ 167.10426 140.8
[M-H]- 143.10776 135.7
[M+NH4]+ 162.14886 148.4
[M+K]+ 183.07820 140.7
[M+H-H2O]+ 127.11230 126.8
[M+HCOO]- 189.11324 152.3
[M+CH3COO]- 203.12889 177.1
[M+Na-2H]- 165.08971 138.9
[M]+ 144.11449 136.9
[M]- 144.11559 136.9
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