CID 3018524

1,1-bis(allyloxy)pentane

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCC(OCC=C)OCC=C
InChI
InChI=1S/C11H20O2/c1-4-7-8-11(12-9-5-2)13-10-6-3/h5-6,11H,2-4,7-10H2,1H3
InChIKey
KWRBYSVDENXDJB-UHFFFAOYSA-N
Compound name
1,1-bis(prop-2-enoxy)pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

184.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 145.1
[M+Na]+ 207.135548 150.7
[M-H]- 183.139054 144.7
[M+NH4]+ 202.180153 165.1
[M+K]+ 223.109488 149.4
[M+H-H2O]+ 167.143590 139.9
[M+HCOO]- 229.144531 167.2
[M+CH3COO]- 243.160181 185.3
[M+Na-2H]- 205.120996 148.4
[M]+ 184.14578142 149.2
[M]- 184.14687858 149.2
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