CID 43373754

933759-85-4

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CN(CCN)CC1CCCO1

InChI

InChI=1S/C8H18N2O/c1-10(5-4-9)7-8-3-2-6-11-8/h8H,2-7,9H2,1H3

InChIKey

WITWIBORFDYHHP-UHFFFAOYSA-N

Compound name

N'-methyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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]+	159.149176	137.6
[M+Na]+	181.131118	141.6
[M-H]-	157.134624	141.8
[M+NH4]+	176.175723	158.4
[M+K]+	197.105058	142.8
[M+H-H2O]+	141.139160	131.1
[M+HCOO]-	203.140101	161.3
[M+CH3COO]-	217.155751	183.6
[M+Na-2H]-	179.116566	141.7
[M]+	158.14135142	135.6
[M]-	158.14244858	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe