CID 106705

67151-63-7

Structural Information

Molecular Formula

C₁₃H₃₁N₃O

SMILES

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

InChI

InChI=1S/C13H31N3O/c1-13(17)12-16(10-6-8-14(2)3)11-7-9-15(4)5/h13,17H,6-12H2,1-5H3

InChIKey

NWDRKFORNVPWLY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 2440
Patents: 245.24672 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]+	246.25400	168.1
[M+Na]+	268.23594	169.7
[M-H]-	244.23944	170.0
[M+NH4]+	263.28054	185.9
[M+K]+	284.20988	171.9
[M+H-H2O]+	228.24398	160.5
[M+HCOO]-	290.24492	191.8
[M+CH3COO]-	304.26057	213.7
[M+Na-2H]-	266.22139	167.8
[M]+	245.24617	172.2
[M]-	245.24727	172.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe