CID 77332

3739-64-8

Structural Information

Molecular Formula
C7H14O
SMILES
CCCCOCC=C
InChI
InChI=1S/C7H14O/c1-3-5-7-8-6-4-2/h4H,2-3,5-7H2,1H3
InChIKey
IBTLFDCPAJLATQ-UHFFFAOYSA-N
Compound name
1-prop-2-enoxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4946
Patents

114.10446 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 124.6
[M+Na]+ 137.093678 131.7
[M-H]- 113.097184 124.8
[M+NH4]+ 132.138283 147.5
[M+K]+ 153.067618 131.3
[M+H-H2O]+ 97.101720 120.2
[M+HCOO]- 159.102661 148.5
[M+CH3COO]- 173.118311 171.4
[M+Na-2H]- 135.079126 131.3
[M]+ 114.10391142 127.1
[M]- 114.10500858 127.1
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