CID 83276

2-methyl-1,1-dipropoxypropane

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.16199 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.169266 144.3
[M+Na]+ 197.151208 149.4
[M-H]- 173.154714 144.0
[M+NH4]+ 192.195813 164.8
[M+K]+ 213.125148 150.0
[M+H-H2O]+ 157.159250 139.1
[M+HCOO]- 219.160191 165.3
[M+CH3COO]- 233.175841 185.0
[M+Na-2H]- 195.136656 146.7
[M]+ 174.16144142 148.7
[M]- 174.16253858 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

literature stripe

Patent stripe

patents stripe