CID 9167342

495078-29-0

Structural Information

Molecular Formula

C₁₀H₂₂N₂

SMILES

CN(C)C1(CCCCCC1)CN

InChI

InChI=1S/C10H22N2/c1-12(2)10(9-11)7-5-3-4-6-8-10/h3-9,11H2,1-2H3

InChIKey

UTXQTTHRHVLYSZ-UHFFFAOYSA-N

Compound name

1-(aminomethyl)-N,N-dimethylcycloheptan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 170.1783 Da
Monoisotopic Mass: 1.5
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	137.2
[M+Na]+	193.167518	138.6
[M-H]-	169.171024	141.7
[M+NH4]+	188.212123	157.5
[M+K]+	209.141458	142.5
[M+H-H2O]+	153.175560	131.4
[M+HCOO]-	215.176501	158.0
[M+CH3COO]-	229.192151	189.0
[M+Na-2H]-	191.152966	141.4
[M]+	170.17775142	129.2
[M]-	170.17884858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe