CID 16218375

870991-68-7

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 156.8
[M+Na]+ 267.11041 167.5
[M+NH4]+ 262.15501 163.9
[M+K]+ 283.08435 162.7
[M-H]- 243.11391 160.7
[M+Na-2H]- 265.09586 163.5
[M]+ 244.12064 159.1
[M]- 244.12174 159.1
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