CID 20055495

Meprochol

Structural Information

Molecular Formula
C7H16NO
SMILES
C[N+](C)(C)CC(=C)OC
InChI
InChI=1S/C7H16NO/c1-7(9-5)6-8(2,3)4/h1,6H2,2-5H3/q+1
InChIKey
VWUPRJOOPQHUJN-UHFFFAOYSA-N
Compound name
2-methoxyprop-2-enyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

130.12318 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.13046 125.0
[M+Na]+ 153.11240 132.0
[M-H]- 129.11590 127.3
[M+NH4]+ 148.15700 147.8
[M+K]+ 169.08634 127.6
[M+H-H2O]+ 113.12044 123.8
[M+HCOO]- 175.12138 148.6
[M+CH3COO]- 189.13703 173.2
[M+Na-2H]- 151.09785 134.4
[M]+ 130.12263 125.7
[M]- 130.12373 125.7
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