CID 137838592

Methyl 4-cyclopropyl-5-formyl-1h-pyrrole-3-carboxylate

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC(=O)C1=CNC(=C1C2CC2)C=O
InChI
InChI=1S/C10H11NO3/c1-14-10(13)7-4-11-8(5-12)9(7)6-2-3-6/h4-6,11H,2-3H2,1H3
InChIKey
WILZIIJAMZKAAF-UHFFFAOYSA-N
Compound name
methyl 4-cyclopropyl-5-formyl-1H-pyrrole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 141.3
[M+Na]+ 216.063118 151.8
[M-H]- 192.066624 146.8
[M+NH4]+ 211.107723 156.0
[M+K]+ 232.037058 147.7
[M+H-H2O]+ 176.071160 135.1
[M+HCOO]- 238.072101 163.7
[M+CH3COO]- 252.087751 183.1
[M+Na-2H]- 214.048566 144.1
[M]+ 193.07335142 145.0
[M]- 193.07444858 145.0
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.