CID 3016524

50456-36-5

Structural Information

Molecular Formula
C14H24N2O
SMILES
CC(C)(C)N(CC1=CC=CC=C1)CC(CN)O
InChI
InChI=1S/C14H24N2O/c1-14(2,3)16(11-13(17)9-15)10-12-7-5-4-6-8-12/h4-8,13,17H,9-11,15H2,1-3H3
InChIKey
QBYBTRGJFDHZKL-UHFFFAOYSA-N
Compound name
1-amino-3-[benzyl(tert-butyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

236.18886 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.196136 159.3
[M+Na]+ 259.178078 162.8
[M-H]- 235.181584 161.7
[M+NH4]+ 254.222683 176.2
[M+K]+ 275.152018 161.2
[M+H-H2O]+ 219.186120 152.6
[M+HCOO]- 281.187061 180.3
[M+CH3COO]- 295.202711 199.0
[M+Na-2H]- 257.163526 162.5
[M]+ 236.18831142 158.1
[M]- 236.18940858 158.1
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