CID 69386

1-ethoxy-2-methylpropane

Structural Information

Molecular Formula
C6H14O
SMILES
CCOCC(C)C
InChI
InChI=1S/C6H14O/c1-4-7-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey
RQUBQBFVDOLUKC-UHFFFAOYSA-N
Compound name
1-ethoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8263
Patents

102.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.11174 121.2
[M+Na]+ 125.09368 132.0
[M+NH4]+ 120.13828 130.0
[M+K]+ 141.06762 126.4
[M-H]- 101.09718 121.3
[M+Na-2H]- 123.07913 125.7
[M]+ 102.10391 122.6
[M]- 102.10501 122.6
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