CID 5365782

Perillartine

Structural Information

Molecular Formula

C₁₀H₁₅NO

SMILES

CC(=C)C1CCC(=CC1)/C=N/O

InChI

InChI=1S/C10H15NO/c1-8(2)10-5-3-9(4-6-10)7-11-12/h3,7,10,12H,1,4-6H2,2H3/b11-7+

InChIKey

XCOJIVIDDFTHGB-YRNVUSSQSA-N

Compound name

(NE)-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 9
References: 2991
Patents: 165.11537 Da
Monoisotopic Mass: 2.9
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]+	166.12265	136.9
[M+Na]+	188.10459	142.2
[M-H]-	164.10809	140.0
[M+NH4]+	183.14919	157.2
[M+K]+	204.07853	140.3
[M+H-H2O]+	148.11263	131.1
[M+HCOO]-	210.11357	158.9
[M+CH3COO]-	224.12922	181.4
[M+Na-2H]-	186.09004	140.9
[M]+	165.11482	133.2
[M]-	165.11592	133.2

Literature stripe

literature stripe

Patent stripe

patents stripe