CID 3066541

110525-48-9

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1=CC=C(N1CCCC(=O)O)C
InChI
InChI=1S/C10H15NO2/c1-8-5-6-9(2)11(8)7-3-4-10(12)13/h5-6H,3-4,7H2,1-2H3,(H,12,13)
InChIKey
SMMFEXPQTVBAJJ-UHFFFAOYSA-N
Compound name
4-(2,5-dimethylpyrrol-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.11028 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 140.2
[M+Na]+ 204.09950 148.5
[M-H]- 180.10300 141.4
[M+NH4]+ 199.14410 160.4
[M+K]+ 220.07344 146.5
[M+H-H2O]+ 164.10754 134.4
[M+HCOO]- 226.10848 162.0
[M+CH3COO]- 240.12413 180.7
[M+Na-2H]- 202.08495 142.4
[M]+ 181.10973 142.1
[M]- 181.11083 142.1
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.