CID 42974

59177-85-4

Structural Information

Molecular Formula

C₁₂H₂₀BrN

SMILES

CNCC12CC3CC(C1)CC(C3)C2Br

InChI

InChI=1S/C12H20BrN/c1-14-7-12-5-8-2-9(6-12)4-10(3-8)11(12)13/h8-11,14H,2-7H2,1H3

InChIKey

SYCGUXQTHQVZSU-UHFFFAOYSA-N

Compound name

1-(2-bromo-1-adamantyl)-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 257.0779 Da
Monoisotopic Mass: 2.8
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]+	258.085176	156.5
[M+Na]+	280.067118	161.8
[M-H]-	256.070624	154.8
[M+NH4]+	275.111723	183.1
[M+K]+	296.041058	151.2
[M+H-H2O]+	240.075160	156.3
[M+HCOO]-	302.076101	163.1
[M+CH3COO]-	316.091751	166.7
[M+Na-2H]-	278.052566	167.4
[M]+	257.07735142	173.0
[M]-	257.07844858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe