CID 150974

3-cyano-proxyl

Structural Information

Molecular Formula

C₉H₁₅N₂O

SMILES

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

InChI

InChI=1S/C9H15N2O/c1-8(2)5-7(6-10)9(3,4)11(8)12/h7H,5H2,1-4H3

InChIKey

RQRRZZIMMXPAGX-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 167.11844 Da
Monoisotopic Mass: 0.9
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]+	168.12572	128.9
[M+Na]+	190.10766	141.0
[M-H]-	166.11116	132.1
[M+NH4]+	185.15226	152.2
[M+K]+	206.08160	138.4
[M+H-H2O]+	150.11570	118.7
[M+HCOO]-	212.11664	147.2
[M+CH3COO]-	226.13229	193.1
[M+Na-2H]-	188.09311	134.1
[M]+	167.11789	125.5
[M]-	167.11899	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe