CID 30155

20430-59-5

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CC1(CCNCC(N1C)(C)C)C

InChI

InChI=1S/C10H22N2/c1-9(2)6-7-11-8-10(3,4)12(9)5/h11H,6-8H2,1-5H3

InChIKey

GLCAWCBOIKYYSW-UHFFFAOYSA-N

Compound name

1,2,2,7,7-pentamethyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 170.1783 Da
Monoisotopic Mass: 1.2
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]+	171.185576	134.2
[M+Na]+	193.167518	139.6
[M-H]-	169.171024	134.9
[M+NH4]+	188.212123	154.1
[M+K]+	209.141458	141.2
[M+H-H2O]+	153.175560	127.9
[M+HCOO]-	215.176501	149.4
[M+CH3COO]-	229.192151	181.7
[M+Na-2H]-	191.152966	139.2
[M]+	170.17775142	127.7
[M]-	170.17884858	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe