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

10613
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 122.0
[M+Na]+ 125.09368 129.0
[M-H]- 101.09718 122.4
[M+NH4]+ 120.13828 145.5
[M+K]+ 141.06762 129.9
[M+H-H2O]+ 85.101720 117.8
[M+HCOO]- 147.10266 145.1
[M+CH3COO]- 161.11831 170.2
[M+Na-2H]- 123.07913 128.0
[M]+ 102.10391 124.1
[M]- 102.10501 124.1
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