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]+ 194.08118 141.3
[M+Na]+ 216.06312 151.8
[M-H]- 192.06662 146.8
[M+NH4]+ 211.10772 156.0
[M+K]+ 232.03706 147.7
[M+H-H2O]+ 176.07116 135.1
[M+HCOO]- 238.07210 163.7
[M+CH3COO]- 252.08775 183.1
[M+Na-2H]- 214.04857 144.1
[M]+ 193.07335 145.0
[M]- 193.07445 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.