CID 3032390

1-methoxy-1-propanol

Structural Information

Molecular Formula
C4H10O2
SMILES
CCC(O)OC
InChI
InChI=1S/C4H10O2/c1-3-4(5)6-2/h4-5H,3H2,1-2H3
InChIKey
LHENQXAPVKABON-UHFFFAOYSA-N
Compound name
1-methoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

77
References

26346
Patents

90.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.075356 116.7
[M+Na]+ 113.05730 124.1
[M-H]- 89.060804 116.0
[M+NH4]+ 108.10190 139.8
[M+K]+ 129.03124 124.9
[M+H-H2O]+ 73.065340 112.8
[M+HCOO]- 135.06628 139.1
[M+CH3COO]- 149.08193 163.2
[M+Na-2H]- 111.04275 123.1
[M]+ 90.067531 117.5
[M]- 90.068629 117.5
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