CID 508064

Chembl45505

Structural Information

Molecular Formula

C₁₄H₂₃N

SMILES

CN1CCCC12C3CC4CC(C3)CC2C4

InChI

InChI=1S/C14H23N/c1-15-4-2-3-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13H,2-9H2,1H3

InChIKey

NEVKUUKTVIGMHH-UHFFFAOYSA-N

Compound name

1'-methylspiro[adamantane-2,2'-pyrrolidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6
Patents: 205.18304 Da
Monoisotopic Mass: 3.0
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]+	206.19032	147.6
[M+Na]+	228.17226	149.7
[M-H]-	204.17576	144.2
[M+NH4]+	223.21686	173.9
[M+K]+	244.14620	145.4
[M+H-H2O]+	188.18030	139.8
[M+HCOO]-	250.18124	152.9
[M+CH3COO]-	264.19689	156.2
[M+Na-2H]-	226.15771	154.0
[M]+	205.18249	144.3
[M]-	205.18359	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe