CID 68704

Ibuproxam

Structural Information

Molecular Formula
C13H19NO2
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)NO
InChI
InChI=1S/C13H19NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h4-7,9-10,16H,8H2,1-3H3,(H,14,15)
InChIKey
BYPIURIATSUHDW-UHFFFAOYSA-N
Compound name
N-hydroxy-2-[4-(2-methylpropyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

23
References

5738
Patents

221.14159 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.14887 152.9
[M+Na]+ 244.13081 162.6
[M+NH4]+ 239.17541 159.8
[M+K]+ 260.10475 157.9
[M-H]- 220.13431 154.0
[M+Na-2H]- 242.11626 157.3
[M]+ 221.14104 154.3
[M]- 221.14214 154.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe