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

50
Patents

244.12119 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.8
[M+Na]+ 267.11041 161.0
[M-H]- 243.11391 159.1
[M+NH4]+ 262.15501 170.5
[M+K]+ 283.08435 157.0
[M+H-H2O]+ 227.11845 148.6
[M+HCOO]- 289.11939 176.4
[M+CH3COO]- 303.13504 194.4
[M+Na-2H]- 265.09586 157.7
[M]+ 244.12064 150.2
[M]- 244.12174 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