CID 69412

1-methoxypentane

Structural Information

Molecular Formula
C6H14O
SMILES
CCCCCOC
InChI
InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3
InChIKey
DBUJFULDVAZULB-UHFFFAOYSA-N
Compound name
1-methoxypentane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

22387
Patents

102.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.11174 121.5
[M+Na]+ 125.09368 128.8
[M-H]- 101.09718 121.9
[M+NH4]+ 120.13828 145.1
[M+K]+ 141.06762 129.3
[M+H-H2O]+ 85.101720 117.3
[M+HCOO]- 147.10266 145.6
[M+CH3COO]- 161.11831 169.4
[M+Na-2H]- 123.07913 128.8
[M]+ 102.10391 124.4
[M]- 102.10501 124.4
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