CID 87370

1-ethoxypentane

Structural Information

Molecular Formula
C7H16O
SMILES
CCCCCOCC
InChI
InChI=1S/C7H16O/c1-3-5-6-7-8-4-2/h3-7H2,1-2H3
InChIKey
VDMXPMYSWFDBJB-UHFFFAOYSA-N
Compound name
1-ethoxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7133
Patents

116.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.12740 126.2
[M+Na]+ 139.10934 133.1
[M-H]- 115.11284 126.4
[M+NH4]+ 134.15394 149.2
[M+K]+ 155.08328 133.3
[M+H-H2O]+ 99.117380 121.8
[M+HCOO]- 161.11832 150.0
[M+CH3COO]- 175.13397 172.4
[M+Na-2H]- 137.09479 132.9
[M]+ 116.11957 129.4
[M]- 116.12067 129.4
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