CID 186233

2-pentan-3-yloxyoxane

Structural Information

Molecular Formula
C10H20O2
SMILES
CCC(CC)OC1CCCCO1
InChI
InChI=1S/C10H20O2/c1-3-9(4-2)12-10-7-5-6-8-11-10/h9-10H,3-8H2,1-2H3
InChIKey
HNMMLAGHGCLBDE-UHFFFAOYSA-N
Compound name
2-pentan-3-yloxyoxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.14633 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 141.2
[M+Na]+ 195.135548 144.8
[M-H]- 171.139054 144.2
[M+NH4]+ 190.180153 159.9
[M+K]+ 211.109488 145.8
[M+H-H2O]+ 155.143590 135.3
[M+HCOO]- 217.144531 159.6
[M+CH3COO]- 231.160181 180.3
[M+Na-2H]- 193.120996 145.6
[M]+ 172.14578142 140.0
[M]- 172.14687858 140.0
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