CID 89244

19910-33-9

Structural Information

Molecular Formula
C9H9NO4
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)
InChIKey
RBSRRICSXWXMRC-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

753
Patents

195.05316 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.0
[M+Na]+ 218.04238 144.4
[M-H]- 194.04588 140.6
[M+NH4]+ 213.08698 155.7
[M+K]+ 234.01632 139.3
[M+H-H2O]+ 178.05042 137.1
[M+HCOO]- 240.05136 161.0
[M+CH3COO]- 254.06701 175.5
[M+Na-2H]- 216.02783 143.6
[M]+ 195.05261 136.2
[M]- 195.05371 136.2
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