CID 61050234

2-(1,4-diazepan-1-yl)propan-1-ol

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC(CO)N1CCCNCC1

InChI

InChI=1S/C8H18N2O/c1-8(7-11)10-5-2-3-9-4-6-10/h8-9,11H,2-7H2,1H3

InChIKey

AOFFRJDGKFITLJ-UHFFFAOYSA-N

Compound name

2-(1,4-diazepan-1-yl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 158.1419 Da
Monoisotopic Mass: -0.3
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]+	159.14918	133.3
[M+Na]+	181.13112	140.3
[M+NH4]+	176.17572	139.6
[M+K]+	197.10506	137.6
[M-H]-	157.13462	132.4
[M+Na-2H]-	179.11657	136.8
[M]+	158.14135	133.7
[M]-	158.14245	133.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe