CID 61499842

Methyl 2-(2-formyl-1h-pyrrol-1-yl)propanoate

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(C(=O)OC)N1C=CC=C1C=O
InChI
InChI=1S/C9H11NO3/c1-7(9(12)13-2)10-5-3-4-8(10)6-11/h3-7H,1-2H3
InChIKey
YAAGUYBVQGYYSD-UHFFFAOYSA-N
Compound name
methyl 2-(2-formylpyrrol-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 137.4
[M+Na]+ 204.063118 145.6
[M-H]- 180.066624 140.0
[M+NH4]+ 199.107723 157.9
[M+K]+ 220.037058 145.2
[M+H-H2O]+ 164.071160 131.3
[M+HCOO]- 226.072101 160.5
[M+CH3COO]- 240.087751 180.5
[M+Na-2H]- 202.048566 140.2
[M]+ 181.07335142 140.5
[M]- 181.07444858 140.5
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

No patent data available for this compound.