CID 2736550

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

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

C1CNCCN(C1)CCO

InChI

InChI=1S/C7H16N2O/c10-7-6-9-4-1-2-8-3-5-9/h8,10H,1-7H2

InChIKey

IXKNVDAHLCFGCV-UHFFFAOYSA-N

Compound name

2-(1,4-diazepan-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 643
Patents: 144.12627 Da
Monoisotopic Mass: -1.1
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]+	145.13355	128.9
[M+Na]+	167.11549	131.5
[M-H]-	143.11899	127.2
[M+NH4]+	162.16009	144.7
[M+K]+	183.08943	133.7
[M+H-H2O]+	127.12353	121.5
[M+HCOO]-	189.12447	143.9
[M+CH3COO]-	203.14012	171.1
[M+Na-2H]-	165.10094	133.9
[M]+	144.12572	119.7
[M]-	144.12682	119.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe