CID 137935583

2248360-45-2

Structural Information

Molecular Formula
C10H12N2O4
SMILES
C1=CC(=C(C=C1C(CN)N)C(=O)O)C(=O)O
InChI
InChI=1S/C10H12N2O4/c11-4-8(12)5-1-2-6(9(13)14)7(3-5)10(15)16/h1-3,8H,4,11-12H2,(H,13,14)(H,15,16)
InChIKey
QVWIUXFOYIUWEN-UHFFFAOYSA-N
Compound name
4-(1,2-diaminoethyl)phthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

-5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 148.8
[M+Na]+ 247.06893 156.1
[M+NH4]+ 242.11353 153.4
[M+K]+ 263.04287 154.5
[M-H]- 223.07243 148.0
[M+Na-2H]- 245.05438 150.7
[M]+ 224.07916 148.9
[M]- 224.08026 148.9
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.