CID 5713276

(1z)-1-(1-adamantyl)ethanone oxime

Structural Information

Molecular Formula

C₁₂H₁₉NO

SMILES

C/C(=N/O)/C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C12H19NO/c1-8(13-14)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,14H,2-7H2,1H3/b13-8-

InChIKey

NOWUKHMRBUCWRA-JYRVWZFOSA-N

Compound name

(NZ)-N-[1-(1-adamantyl)ethylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 193.14667 Da
Monoisotopic Mass: 2.8
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]+	194.15395	144.7
[M+Na]+	216.13589	146.4
[M-H]-	192.13939	140.0
[M+NH4]+	211.18049	170.7
[M+K]+	232.10983	143.7
[M+H-H2O]+	176.14393	139.0
[M+HCOO]-	238.14487	152.5
[M+CH3COO]-	252.16052	153.6
[M+Na-2H]-	214.12134	155.5
[M]+	193.14612	143.5
[M]-	193.14722	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe