CID 53428151

1-isopentyloxy-1-propoxyethane

Structural Information

Molecular Formula
C10H22O2
SMILES
CCCOC(C)OCCC(C)C
InChI
InChI=1S/C10H22O2/c1-5-7-11-10(4)12-8-6-9(2)3/h9-10H,5-8H2,1-4H3
InChIKey
VPJHYSGCDYPNSB-UHFFFAOYSA-N
Compound name
3-methyl-1-(1-propoxyethoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

174.16199 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.16927 144.3
[M+Na]+ 197.15121 149.4
[M-H]- 173.15471 144.0
[M+NH4]+ 192.19581 164.8
[M+K]+ 213.12515 150.0
[M+H-H2O]+ 157.15925 139.1
[M+HCOO]- 219.16019 165.3
[M+CH3COO]- 233.17584 185.0
[M+Na-2H]- 195.13666 146.7
[M]+ 174.16144 148.7
[M]- 174.16254 148.7
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

No patent data available for this compound.