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 147.8
[M+Na]+ 234.11007 156.0
[M-H]- 210.11357 147.8
[M+NH4]+ 229.15467 166.3
[M+K]+ 250.08401 153.4
[M+H-H2O]+ 194.11811 142.2
[M+HCOO]- 256.11905 167.9
[M+CH3COO]- 270.13470 184.4
[M+Na-2H]- 232.09552 148.4
[M]+ 211.12030 150.0
[M]- 211.12140 150.0
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.