CID 112683

63469-23-8

Structural Information

Molecular Formula

C₁₁H₂₆N₂O₂

SMILES

CC(CN(CCCN(C)C)CC(C)O)O

InChI

InChI=1S/C11H26N2O2/c1-10(14)8-13(9-11(2)15)7-5-6-12(3)4/h10-11,14-15H,5-9H2,1-4H3

InChIKey

FFCUXTGIVGMUKC-UHFFFAOYSA-N

Compound name

1-[3-(dimethylamino)propyl-(2-hydroxypropyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1345
Patents: 218.19943 Da
Monoisotopic Mass: 0.2
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]+	219.20671	158.3
[M+Na]+	241.18865	160.7
[M-H]-	217.19215	157.7
[M+NH4]+	236.23325	176.0
[M+K]+	257.16259	162.0
[M+H-H2O]+	201.19669	151.8
[M+HCOO]-	263.19763	178.9
[M+CH3COO]-	277.21328	199.5
[M+Na-2H]-	239.17410	157.8
[M]+	218.19888	160.0
[M]-	218.19998	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe