CID 637914

1-methoxy-1-propene

Structural Information

Molecular Formula
C4H8O
SMILES
C/C=C/OC
InChI
InChI=1S/C4H8O/c1-3-4-5-2/h3-4H,1-2H3/b4-3+
InChIKey
QHMVQKOXILNZQR-ONEGZZNKSA-N
Compound name
(E)-1-methoxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1749
Patents

72.05752 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 110.7
[M+Na]+ 95.046738 119.2
[M-H]- 71.050244 111.5
[M+NH4]+ 90.091343 135.4
[M+K]+ 111.02068 119.6
[M+H-H2O]+ 55.054780 107.0
[M+HCOO]- 117.05572 135.7
[M+CH3COO]- 131.07137 161.6
[M+Na-2H]- 93.032186 119.1
[M]+ 72.056971 112.0
[M]- 72.058069 112.0
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