CID 80717239

2,5-dimethyl-1-(oxolan-3-yl)-1h-pyrrole-3-carboxylic acid

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=CC(=C(N1C2CCOC2)C)C(=O)O
InChI
InChI=1S/C11H15NO3/c1-7-5-10(11(13)14)8(2)12(7)9-3-4-15-6-9/h5,9H,3-4,6H2,1-2H3,(H,13,14)
InChIKey
OFWBGOZIJRDZGC-UHFFFAOYSA-N
Compound name
2,5-dimethyl-1-(oxolan-3-yl)pyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1052 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.8
[M+Na]+ 232.09442 153.6
[M-H]- 208.09792 151.1
[M+NH4]+ 227.13902 165.1
[M+K]+ 248.06836 152.8
[M+H-H2O]+ 192.10246 140.3
[M+HCOO]- 254.10340 165.9
[M+CH3COO]- 268.11905 183.7
[M+Na-2H]- 230.07987 145.7
[M]+ 209.10465 145.9
[M]- 209.10575 145.9
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.