CID 17950343

1101184-94-4

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

C=CCNCC(CNCC=C)O

InChI

InChI=1S/C9H18N2O/c1-3-5-10-7-9(12)8-11-6-4-2/h3-4,9-12H,1-2,5-8H2

InChIKey

NZLVWYSTFRNEGZ-UHFFFAOYSA-N

Compound name

1,3-bis(prop-2-enylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 169
Patents: 170.1419 Da
Monoisotopic Mass: 0.0
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]+	171.14918	141.7
[M+Na]+	193.13112	145.8
[M-H]-	169.13462	139.9
[M+NH4]+	188.17572	160.6
[M+K]+	209.10506	143.5
[M+H-H2O]+	153.13916	136.0
[M+HCOO]-	215.14010	164.6
[M+CH3COO]-	229.15575	184.4
[M+Na-2H]-	191.11657	145.7
[M]+	170.14135	139.9
[M]-	170.14245	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe