CID 8107

4-methoxybutan-1-ol

Structural Information

Molecular Formula
C5H12O2
SMILES
COCCCCO
InChI
InChI=1S/C5H12O2/c1-7-5-3-2-4-6/h6H,2-5H2,1H3
InChIKey
KOVAQMSVARJMPH-UHFFFAOYSA-N
Compound name
4-methoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9516
Patents

104.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.091006 120.9
[M+Na]+ 127.072948 128.1
[M-H]- 103.076454 119.9
[M+NH4]+ 122.117553 143.5
[M+K]+ 143.046888 128.2
[M+H-H2O]+ 87.080990 116.8
[M+HCOO]- 149.081931 144.0
[M+CH3COO]- 163.097581 165.4
[M+Na-2H]- 125.058396 128.0
[M]+ 104.08318142 122.8
[M]- 104.08427858 122.8
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