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

64
Patents

111.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 119.7
[M+Na]+ 134.05763 128.3
[M-H]- 110.06113 122.1
[M+NH4]+ 129.10223 143.0
[M+K]+ 150.03157 128.0
[M+H-H2O]+ 94.065670 113.8
[M+HCOO]- 156.06661 144.9
[M+CH3COO]- 170.08226 167.2
[M+Na-2H]- 132.04308 127.2
[M]+ 111.06786 121.1
[M]- 111.06896 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