CID 120303

1-ethoxy-3-methylbutane

Structural Information

Molecular Formula
C7H16O
SMILES
CCOCCC(C)C
InChI
InChI=1S/C7H16O/c1-4-8-6-5-7(2)3/h7H,4-6H2,1-3H3
InChIKey
HQUVLOKKTRUQNI-UHFFFAOYSA-N
Compound name
1-ethoxy-3-methylbutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1969
Patents

116.12012 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.12740 126.7
[M+Na]+ 139.10934 133.3
[M-H]- 115.11284 127.0
[M+NH4]+ 134.15394 149.6
[M+K]+ 155.08328 133.9
[M+H-H2O]+ 99.117380 122.3
[M+HCOO]- 161.11832 149.5
[M+CH3COO]- 175.13397 173.2
[M+Na-2H]- 137.09479 132.1
[M]+ 116.11957 129.2
[M]- 116.12067 129.2
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