CID 545109

3-butenyl n-butyl ether

Structural Information

Molecular Formula
C8H16O
SMILES
CCCCOCCC=C
InChI
InChI=1S/C8H16O/c1-3-5-7-9-8-6-4-2/h3H,1,4-8H2,2H3
InChIKey
DQBLWVOFEZVBFT-UHFFFAOYSA-N
Compound name
1-but-3-enoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

128.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 129.2
[M+Na]+ 151.109338 136.0
[M-H]- 127.112844 129.3
[M+NH4]+ 146.153943 151.6
[M+K]+ 167.083278 135.3
[M+H-H2O]+ 111.117380 124.7
[M+HCOO]- 173.118321 152.9
[M+CH3COO]- 187.133971 174.5
[M+Na-2H]- 149.094786 135.4
[M]+ 128.11957142 132.1
[M]- 128.12066858 132.1
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