CID 11217296

50966-72-8

Structural Information

Molecular Formula
C7H9NO2
SMILES
COC(=O)CN1C=CC=C1
InChI
InChI=1S/C7H9NO2/c1-10-7(9)6-8-4-2-3-5-8/h2-5H,6H2,1H3
InChIKey
SDLJOUCIMGIKOD-UHFFFAOYSA-N
Compound name
methyl 2-pyrrol-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

139.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 128.1
[M+Na]+ 162.05254 139.0
[M+NH4]+ 157.09714 136.0
[M+K]+ 178.02648 135.6
[M-H]- 138.05604 128.3
[M+Na-2H]- 160.03799 133.6
[M]+ 139.06277 129.4
[M]- 139.06387 129.4
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