CID 29892924

1033710-87-0

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC[C@@H]1CNCCN1C

InChI

InChI=1S/C7H16N2/c1-3-7-6-8-4-5-9(7)2/h7-8H,3-6H2,1-2H3/t7-/m1/s1

InChIKey

AWZLXVAPLHUDSY-SSDOTTSWSA-N

Compound name

(2R)-2-ethyl-1-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 128.13135 Da
Monoisotopic Mass: 0.6
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]+	129.13863	130.7
[M+Na]+	151.12057	136.4
[M-H]-	127.12407	129.4
[M+NH4]+	146.16517	149.5
[M+K]+	167.09451	134.7
[M+H-H2O]+	111.12861	124.0
[M+HCOO]-	173.12955	147.3
[M+CH3COO]-	187.14520	170.2
[M+Na-2H]-	149.10602	135.7
[M]+	128.13080	125.0
[M]-	128.13190	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe