CID 67313626

Mk-1496

Structural Information

Molecular Formula
C14H24N2O
SMILES
C[C@@H](C1=CC=C(C=C1)[C@@H](CNC(C)(C)C)O)N
InChI
InChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1
InChIKey
KUHBBYPXWKYKKR-GXFFZTMASA-N
Compound name
(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

67
Patents

236.18886 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 159.3
[M+Na]+ 259.178078 163.4
[M-H]- 235.181584 160.8
[M+NH4]+ 254.222683 175.8
[M+K]+ 275.152018 161.0
[M+H-H2O]+ 219.186120 153.2
[M+HCOO]- 281.187061 178.8
[M+CH3COO]- 295.202711 197.8
[M+Na-2H]- 257.163526 161.4
[M]+ 236.18831142 156.6
[M]- 236.18940858 156.6
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