CID 16218375

(1s,2s)-1,2-bis(2-hydroxyphenyl)ethylenediamine

Structural Information

Molecular Formula
C14H16N2O2
SMILES
C1=CC=C(C(=C1)[C@@H]([C@H](C2=CC=CC=C2O)N)N)O
InChI
InChI=1S/C14H16N2O2/c15-13(9-5-1-3-7-11(9)17)14(16)10-6-2-4-8-12(10)18/h1-8,13-14,17-18H,15-16H2/t13-,14-/m0/s1
InChIKey
MRNPLGLZBUDMRE-KBPBESRZSA-N
Compound name
2-[(1S,2S)-1,2-diamino-2-(2-hydroxyphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

244.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 155.8
[M+Na]+ 267.110408 161.0
[M-H]- 243.113914 159.1
[M+NH4]+ 262.155013 170.5
[M+K]+ 283.084348 157.0
[M+H-H2O]+ 227.118450 148.6
[M+HCOO]- 289.119391 176.4
[M+CH3COO]- 303.135041 194.4
[M+Na-2H]- 265.095856 157.7
[M]+ 244.12064142 150.2
[M]- 244.12173858 150.2
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