CID 80717239

1535373-68-2

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]+ 210.112476 145.8
[M+Na]+ 232.094418 153.6
[M-H]- 208.097924 151.1
[M+NH4]+ 227.139023 165.1
[M+K]+ 248.068358 152.8
[M+H-H2O]+ 192.102460 140.3
[M+HCOO]- 254.103401 165.9
[M+CH3COO]- 268.119051 183.7
[M+Na-2H]- 230.079866 145.7
[M]+ 209.10465142 145.9
[M]- 209.10574858 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.