CID 18622021

1-(3-nitrophenyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
C1CC(C1)(C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C11H11NO4/c13-10(14)11(5-2-6-11)8-3-1-4-9(7-8)12(15)16/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKey
QBUXPHKPYHXRST-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

221.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 147.5
[M+Na]+ 244.05802 154.5
[M+NH4]+ 239.10262 152.1
[M+K]+ 260.03196 152.4
[M-H]- 220.06152 147.8
[M+Na-2H]- 242.04347 152.1
[M]+ 221.06825 147.2
[M]- 221.06935 147.2
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

patents stripe