CID 24708627

3-(5-methyl-2-nitrophenoxy)propanoic acid

Structural Information

Molecular Formula
C10H11NO5
SMILES
CC1=CC(=C(C=C1)[N+](=O)[O-])OCCC(=O)O
InChI
InChI=1S/C10H11NO5/c1-7-2-3-8(11(14)15)9(6-7)16-5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKey
YPGHSCYRNRGHAJ-UHFFFAOYSA-N
Compound name
3-(5-methyl-2-nitrophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.06372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 145.6
[M+Na]+ 248.05294 157.4
[M+NH4]+ 243.09754 151.9
[M+K]+ 264.02688 155.6
[M-H]- 224.05644 147.0
[M+Na-2H]- 246.03839 150.0
[M]+ 225.06317 147.3
[M]- 225.06427 147.3
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.