CID 206059

Brn 0400085

Structural Information

Molecular Formula
C11H17NO3
SMILES
CC1=CC(=C(N1CCCO)C)CC(=O)O
InChI
InChI=1S/C11H17NO3/c1-8-6-10(7-11(14)15)9(2)12(8)4-3-5-13/h6,13H,3-5,7H2,1-2H3,(H,14,15)
InChIKey
GYVLALHSQIGDKI-UHFFFAOYSA-N
Compound name
2-[1-(3-hydroxypropyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.12085 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12813 148.8
[M+Na]+ 234.11007 158.4
[M+NH4]+ 229.15467 154.7
[M+K]+ 250.08401 155.9
[M-H]- 210.11357 147.4
[M+Na-2H]- 232.09552 150.8
[M]+ 211.12030 149.4
[M]- 211.12140 149.4
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.