CID 2768491

900019-50-3

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC(=O)C1=CC(=CN1)C(=O)C2CC2
InChI
InChI=1S/C10H11NO3/c1-14-10(13)8-4-7(5-11-8)9(12)6-2-3-6/h4-6,11H,2-3H2,1H3
InChIKey
ARKUXUKWKVFIBU-UHFFFAOYSA-N
Compound name
methyl 4-(cyclopropanecarbonyl)-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.08118 141.3
[M+Na]+ 216.06312 150.6
[M-H]- 192.06662 146.5
[M+NH4]+ 211.10772 155.6
[M+K]+ 232.03706 147.1
[M+H-H2O]+ 176.07116 134.9
[M+HCOO]- 238.07210 162.9
[M+CH3COO]- 252.08775 182.8
[M+Na-2H]- 214.04857 143.6
[M]+ 193.07335 144.0
[M]- 193.07445 144.0
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.