CID 6399482

663-17-2

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CC1(C\2CCC1(C(=O)/C2=N\O)C)C

InChI

InChI=1S/C10H15NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6,13H,4-5H2,1-3H3/b11-7-

InChIKey

YRNPDSREMSMKIY-XFFZJAGNSA-N

Compound name

(3Z)-3-hydroxyimino-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 31
Patents: 181.11028 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]+	182.11756	136.6
[M+Na]+	204.09950	146.6
[M-H]-	180.10300	140.4
[M+NH4]+	199.14410	166.0
[M+K]+	220.07344	144.0
[M+H-H2O]+	164.10754	134.4
[M+HCOO]-	226.10848	159.3
[M+CH3COO]-	240.12413	183.7
[M+Na-2H]-	202.08495	142.1
[M]+	181.10973	137.3
[M]-	181.11083	137.3

Literature stripe

literature stripe

Patent stripe

patents stripe