CID 155819863

5-(oxolan-2-yl)-1h-pyrrole-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1CC(OC1)C2=CC=C(N2)C(=O)O
InChI
InChI=1S/C9H11NO3/c11-9(12)7-4-3-6(10-7)8-2-1-5-13-8/h3-4,8,10H,1-2,5H2,(H,11,12)
InChIKey
MWRXUVBREUGYKE-UHFFFAOYSA-N
Compound name
5-(oxolan-2-yl)-1H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 138.0
[M+Na]+ 204.063118 144.3
[M-H]- 180.066624 141.4
[M+NH4]+ 199.107723 157.0
[M+K]+ 220.037058 143.2
[M+H-H2O]+ 164.071160 132.3
[M+HCOO]- 226.072101 157.2
[M+CH3COO]- 240.087751 172.8
[M+Na-2H]- 202.048566 139.8
[M]+ 181.07335142 134.7
[M]- 181.07444858 134.7
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.