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

6
Patents

151.06332 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 131.6
[M+Na]+ 174.052538 139.3
[M-H]- 150.056044 132.5
[M+NH4]+ 169.097143 152.4
[M+K]+ 190.026478 137.2
[M+H-H2O]+ 134.060580 125.6
[M+HCOO]- 196.061521 154.3
[M+CH3COO]- 210.077171 170.1
[M+Na-2H]- 172.037986 136.2
[M]+ 151.06277142 131.1
[M]- 151.06386858 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