CID 36575

2-chloro-2-nitrosoadamantane

Structural Information

Molecular Formula

C₁₀H₁₄ClNO

SMILES

C1C2CC3CC1CC(C2)C3(N=O)Cl

InChI

InChI=1S/C10H14ClNO/c11-10(12-13)8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2

InChIKey

ZYQSPUNJUSBQMK-UHFFFAOYSA-N

Compound name

2-chloro-2-nitrosoadamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.07639 Da
Monoisotopic Mass: 2.4
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]+	200.083666	141.9
[M+Na]+	222.065608	146.8
[M-H]-	198.069114	139.1
[M+NH4]+	217.110213	169.5
[M+K]+	238.039548	143.3
[M+H-H2O]+	182.073650	137.2
[M+HCOO]-	244.074591	148.6
[M+CH3COO]-	258.090241	152.4
[M+Na-2H]-	220.051056	154.1
[M]+	199.07584142	144.7
[M]-	199.07693858	144.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.