CID 24728910

Methyl 2-amino-2-(3-nitrophenyl)acetate hydrochloride

Structural Information

Molecular Formula
C9H10N2O4
SMILES
COC(=O)C(C1=CC(=CC=C1)[N+](=O)[O-])N
InChI
InChI=1S/C9H10N2O4/c1-15-9(12)8(10)6-3-2-4-7(5-6)11(13)14/h2-5,8H,10H2,1H3
InChIKey
BLBIOXMHBZZVRA-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3-nitrophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

210.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 142.0
[M+Na]+ 233.05328 147.9
[M-H]- 209.05678 145.4
[M+NH4]+ 228.09788 159.2
[M+K]+ 249.02722 143.3
[M+H-H2O]+ 193.06132 140.3
[M+HCOO]- 255.06226 166.8
[M+CH3COO]- 269.07791 181.7
[M+Na-2H]- 231.03873 147.3
[M]+ 210.06351 140.1
[M]- 210.06461 140.1
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