CID 3009948

Schembl18841458

Structural Information

Molecular Formula

C₁₆H₂₇N

SMILES

CC(C)N1CCC2(C1)C3CC4CC(C3)CC2C4

InChI

InChI=1S/C16H27N/c1-11(2)17-4-3-16(10-17)14-6-12-5-13(8-14)9-15(16)7-12/h11-15H,3-10H2,1-2H3

InChIKey

CPBNHIMAMKDTHI-UHFFFAOYSA-N

Compound name

1'-propan-2-ylspiro[adamantane-2,3'-pyrrolidine]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 233.21436 Da
Monoisotopic Mass: 4.4
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]+	234.22164	157.9
[M+Na]+	256.20358	158.8
[M-H]-	232.20708	154.1
[M+NH4]+	251.24818	183.0
[M+K]+	272.17752	154.4
[M+H-H2O]+	216.21162	150.1
[M+HCOO]-	278.21256	161.3
[M+CH3COO]-	292.22821	165.4
[M+Na-2H]-	254.18903	162.1
[M]+	233.21381	154.5
[M]-	233.21491	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe