CID 4550484

Methyl 3-(1h-pyrrol-3-yl)prop-2-enoate

Structural Information

Molecular Formula
C8H9NO2
SMILES
COC(=O)C=CC1=CNC=C1
InChI
InChI=1S/C8H9NO2/c1-11-8(10)3-2-7-4-5-9-6-7/h2-6,9H,1H3
InChIKey
LRGLUDDXROSBIO-UHFFFAOYSA-N
Compound name
methyl 3-(1H-pyrrol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 131.6
[M+Na]+ 174.05254 139.3
[M-H]- 150.05604 132.5
[M+NH4]+ 169.09714 152.4
[M+K]+ 190.02648 137.2
[M+H-H2O]+ 134.06058 125.6
[M+HCOO]- 196.06152 154.3
[M+CH3COO]- 210.07717 170.1
[M+Na-2H]- 172.03799 136.2
[M]+ 151.06277 131.1
[M]- 151.06387 131.1
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