CID 519415

1,1-diethoxy-2-methylpropane

Structural Information

Molecular Formula
C8H18O2
SMILES
CCOC(C(C)C)OCC
InChI
InChI=1S/C8H18O2/c1-5-9-8(7(3)4)10-6-2/h7-8H,5-6H2,1-4H3
InChIKey
KZDFOVZPOBSHDH-UHFFFAOYSA-N
Compound name
1,1-diethoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

130
Patents

146.13068 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.13796 134.8
[M+Na]+ 169.11990 140.8
[M-H]- 145.12340 134.9
[M+NH4]+ 164.16450 156.4
[M+K]+ 185.09384 142.0
[M+H-H2O]+ 129.12794 130.1
[M+HCOO]- 191.12888 156.5
[M+CH3COO]- 205.14453 178.9
[M+Na-2H]- 167.10535 138.3
[M]+ 146.13013 138.5
[M]- 146.13123 138.5
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