CID 3767411

6415-68-5

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1=CC=C(C=C1)N(CC(=O)O)N=O
InChI
InChI=1S/C8H8N2O3/c11-8(12)6-10(9-13)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKey
YSEVGCXYIMMVIS-UHFFFAOYSA-N
Compound name
2-(N-nitrosoanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

180.0535 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 134.3
[M+Na]+ 203.042718 140.6
[M-H]- 179.046224 139.4
[M+NH4]+ 198.087323 153.8
[M+K]+ 219.016658 141.1
[M+H-H2O]+ 163.050760 127.3
[M+HCOO]- 225.051701 161.8
[M+CH3COO]- 239.067351 186.8
[M+Na-2H]- 201.028166 141.6
[M]+ 180.05295142 135.8
[M]- 180.05404858 135.8
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