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]+ 212.128126 147.8
[M+Na]+ 234.110068 156.0
[M-H]- 210.113574 147.8
[M+NH4]+ 229.154673 166.3
[M+K]+ 250.084008 153.4
[M+H-H2O]+ 194.118110 142.2
[M+HCOO]- 256.119051 167.9
[M+CH3COO]- 270.134701 184.4
[M+Na-2H]- 232.095516 148.4
[M]+ 211.12030142 150.0
[M]- 211.12139858 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.