CID 12632246

1-(methoxymethyl)-1h-pyrrole

Structural Information

Molecular Formula
C6H9NO
SMILES
COCN1C=CC=C1
InChI
InChI=1S/C6H9NO/c1-8-6-7-4-2-3-5-7/h2-5H,6H2,1H3
InChIKey
RVJUXEZIBUCRHP-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

111.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 119.7
[M+Na]+ 134.057628 128.3
[M-H]- 110.061134 122.1
[M+NH4]+ 129.102233 143.0
[M+K]+ 150.031568 128.0
[M+H-H2O]+ 94.065670 113.8
[M+HCOO]- 156.066611 144.9
[M+CH3COO]- 170.082261 167.2
[M+Na-2H]- 132.043076 127.2
[M]+ 111.06786142 121.1
[M]- 111.06895858 121.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe