CID 3057146

73972-41-5

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CC(C)(CNCC1CCCO1)N

InChI

InChI=1S/C9H20N2O/c1-9(2,10)7-11-6-8-4-3-5-12-8/h8,11H,3-7,10H2,1-2H3

InChIKey

QAGXIKTUAIFBTD-UHFFFAOYSA-N

Compound name

2-methyl-1-N-(oxolan-2-ylmethyl)propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 172.15756 Da
Monoisotopic Mass: -0.1
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]+	173.16484	141.1
[M+Na]+	195.14678	144.9
[M-H]-	171.15028	143.9
[M+NH4]+	190.19138	160.8
[M+K]+	211.12072	144.9
[M+H-H2O]+	155.15482	135.3
[M+HCOO]-	217.15576	162.4
[M+CH3COO]-	231.17141	183.6
[M+Na-2H]-	193.13223	146.3
[M]+	172.15701	137.7
[M]-	172.15811	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe