CID 155819863

2470441-05-3

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]+ 182.08118 138.0
[M+Na]+ 204.06312 144.3
[M-H]- 180.06662 141.4
[M+NH4]+ 199.10772 157.0
[M+K]+ 220.03706 143.2
[M+H-H2O]+ 164.07116 132.3
[M+HCOO]- 226.07210 157.2
[M+CH3COO]- 240.08775 172.8
[M+Na-2H]- 202.04857 139.8
[M]+ 181.07335 134.7
[M]- 181.07445 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.