CID 103766

2,3-dibutyloxirane

Structural Information

Molecular Formula
C10H20O
SMILES
CCCCC1C(O1)CCCC
InChI
InChI=1S/C10H20O/c1-3-5-7-9-10(11-9)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKey
WQURFPNPTFZWGE-UHFFFAOYSA-N
Compound name
2,3-dibutyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

156.15141 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 137.2
[M+Na]+ 179.140628 145.8
[M-H]- 155.144134 142.3
[M+NH4]+ 174.185233 152.8
[M+K]+ 195.114568 145.0
[M+H-H2O]+ 139.148670 131.0
[M+HCOO]- 201.149611 159.3
[M+CH3COO]- 215.165261 184.1
[M+Na-2H]- 177.126076 143.3
[M]+ 156.15086142 143.5
[M]- 156.15195858 143.5
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