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

59
Patents

236.18886 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.19614 159.3
[M+Na]+ 259.17808 163.4
[M-H]- 235.18158 160.8
[M+NH4]+ 254.22268 175.8
[M+K]+ 275.15202 161.0
[M+H-H2O]+ 219.18612 153.2
[M+HCOO]- 281.18706 178.8
[M+CH3COO]- 295.20271 197.8
[M+Na-2H]- 257.16353 161.4
[M]+ 236.18831 156.6
[M]- 236.18941 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.