CID 10313386

(-)-ym796

Structural Information

Molecular Formula

C₁₁H₁₉NO

SMILES

C[C@@H]1C(=C)CC2(O1)CCN(CC2)C

InChI

InChI=1S/C11H19NO/c1-9-8-11(13-10(9)2)4-6-12(3)7-5-11/h10H,1,4-8H2,2-3H3/t10-/m1/s1

InChIKey

HDTOQYUZMCNTBZ-SNVBAGLBSA-N

Compound name

(2R)-2,8-dimethyl-3-methylidene-1-oxa-8-azaspiro[4.5]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 181.14667 Da
Monoisotopic Mass: 1.2
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]+	182.15395	141.4
[M+Na]+	204.13589	148.0
[M-H]-	180.13939	145.8
[M+NH4]+	199.18049	163.1
[M+K]+	220.10983	146.8
[M+H-H2O]+	164.14393	135.7
[M+HCOO]-	226.14487	158.5
[M+CH3COO]-	240.16052	180.6
[M+Na-2H]-	202.12134	144.6
[M]+	181.14612	136.6
[M]-	181.14722	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe