CID 411849

Cyclohexylnitroamine

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

C1CCC(CC1)N[N+](=O)[O-]

InChI

InChI=1S/C6H12N2O2/c9-8(10)7-6-4-2-1-3-5-6/h6-7H,1-5H2

InChIKey

NHEUXRXASLPKGO-UHFFFAOYSA-N

Compound name

N-cyclohexylnitramide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 60
Patents: 144.08987 Da
Monoisotopic Mass: 2.3
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]+	145.097146	127.8
[M+Na]+	167.079088	131.4
[M-H]-	143.082594	130.5
[M+NH4]+	162.123693	147.7
[M+K]+	183.053028	127.2
[M+H-H2O]+	127.087130	126.7
[M+HCOO]-	189.088071	151.2
[M+CH3COO]-	203.103721	169.4
[M+Na-2H]-	165.064536	135.7
[M]+	144.08932142	120.6
[M]-	144.09041858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe