CID 200476

2114-63-8

Structural Information

Molecular Formula
C15H14N2O3
SMILES
CC1=C(C(=CC=C1)N(C2=CC=CC=C2C(=O)O)N=O)C
InChI
InChI=1S/C15H14N2O3/c1-10-6-5-9-13(11(10)2)17(16-20)14-8-4-3-7-12(14)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKey
YOLMDHKDPNUCER-UHFFFAOYSA-N
Compound name
2-(2,3-dimethyl-N-nitrosoanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.10771 159.5
[M+Na]+ 293.08965 166.8
[M-H]- 269.09315 168.2
[M+NH4]+ 288.13425 175.7
[M+K]+ 309.06359 165.2
[M+H-H2O]+ 253.09769 151.2
[M+HCOO]- 315.09863 186.0
[M+CH3COO]- 329.11428 207.3
[M+Na-2H]- 291.07510 163.7
[M]+ 270.09988 162.1
[M]- 270.10098 162.1
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