CID 15956146

Akos011654878

Structural Information

Molecular Formula

C₁₄H₂₅N₃

SMILES

CC(C)N=C(N)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C14H25N3/c1-9(2)16-13(15)17-14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3,(H3,15,16,17)

InChIKey

HPHLBYNUSSMUMP-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-2-propan-2-ylguanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 235.20485 Da
Monoisotopic Mass: 2.5
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]+	236.21213	155.7
[M+Na]+	258.19407	155.1
[M-H]-	234.19757	150.9
[M+NH4]+	253.23867	179.6
[M+K]+	274.16801	153.0
[M+H-H2O]+	218.20211	149.5
[M+HCOO]-	280.20305	164.2
[M+CH3COO]-	294.21870	163.0
[M+Na-2H]-	256.17952	164.7
[M]+	235.20430	152.5
[M]-	235.20540	152.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.