CID 36008

31898-06-3

Structural Information

Molecular Formula

C₁₇H₂₉N

SMILES

CC(CC12CC3CC(C1)CC(C3)C2)N4CCCC4

InChI

InChI=1S/C17H29N/c1-13(18-4-2-3-5-18)9-17-10-14-6-15(11-17)8-16(7-14)12-17/h13-16H,2-12H2,1H3

InChIKey

UXHYZLXZHBXNSI-UHFFFAOYSA-N

Compound name

1-[1-(1-adamantyl)propan-2-yl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 247.23 Da
Monoisotopic Mass: 5.0
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]+	248.23728	161.3
[M+Na]+	270.21922	160.5
[M-H]-	246.22272	157.0
[M+NH4]+	265.26382	185.2
[M+K]+	286.19316	156.0
[M+H-H2O]+	230.22726	152.9
[M+HCOO]-	292.22820	164.2
[M+CH3COO]-	306.24385	167.9
[M+Na-2H]-	268.20467	165.5
[M]+	247.22945	157.2
[M]-	247.23055	157.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe