CID 521152

3-carbamoyl-proxyl

Structural Information

Molecular Formula

C₉H₁₇N₂O₂

SMILES

CC1(CC(C(N1[O])(C)C)C(=O)N)C

InChI

InChI=1S/C9H17N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h6H,5H2,1-4H3,(H2,10,12)

InChIKey

XNNPAWRINYCIHL-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 49
References: 21
Patents: 185.129 Da
Monoisotopic Mass: 0.0
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]+	186.136276	136.8
[M+Na]+	208.118218	145.8
[M-H]-	184.121724	139.4
[M+NH4]+	203.162823	161.2
[M+K]+	224.092158	145.5
[M+H-H2O]+	168.126260	133.3
[M+HCOO]-	230.127201	158.0
[M+CH3COO]-	244.142851	185.8
[M+Na-2H]-	206.103666	139.9
[M]+	185.12845142	136.8
[M]-	185.12954858	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe