CID 206049

Brn 0416039

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC1=C(C(=CC=C1)N2C(=CC(=C2C)CC(=O)O)C)C
InChI
InChI=1S/C16H19NO2/c1-10-6-5-7-15(12(10)3)17-11(2)8-14(13(17)4)9-16(18)19/h5-8H,9H2,1-4H3,(H,18,19)
InChIKey
UVCNEXTVOAHQPS-UHFFFAOYSA-N
Compound name
2-[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 161.2
[M+Na]+ 280.13079 174.6
[M+NH4]+ 275.17539 168.5
[M+K]+ 296.10473 170.0
[M-H]- 256.13429 163.8
[M+Na-2H]- 278.11624 166.9
[M]+ 257.14102 163.8
[M]- 257.14212 163.8
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.