CID 3016525

50456-56-9

Structural Information

Molecular Formula

C₇H₁₈N₂O

SMILES

CC(C)(C)NCC(CN)O

InChI

InChI=1S/C7H18N2O/c1-7(2,3)9-5-6(10)4-8/h6,9-10H,4-5,8H2,1-3H3

InChIKey

UIPBHEMSRLPBRL-UHFFFAOYSA-N

Compound name

1-amino-3-(tert-butylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 146.1419 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.149176	136.0
[M+Na]+	169.131118	140.9
[M-H]-	145.134624	134.4
[M+NH4]+	164.175723	156.0
[M+K]+	185.105058	140.4
[M+H-H2O]+	129.139160	131.3
[M+HCOO]-	191.140101	157.0
[M+CH3COO]-	205.155751	179.1
[M+Na-2H]-	167.116566	140.5
[M]+	146.14135142	133.2
[M]-	146.14244858	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe