CID 2836010

(3-chloroadamantan-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₈ClN

SMILES

C1C2CC3(CC1CC(C2)(C3)Cl)CN

InChI

InChI=1S/C11H18ClN/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9H,1-7,13H2

InChIKey

QQGQLEXVVFHBGT-UHFFFAOYSA-N

Compound name

(3-chloro-1-adamantyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 199.11278 Da
Monoisotopic Mass: 2.0
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]+	200.12006	144.3
[M+Na]+	222.10200	154.3
[M+NH4]+	217.14660	159.7
[M+K]+	238.07594	142.0
[M-H]-	198.10550	143.8
[M+Na-2H]-	220.08745	144.0
[M]+	199.11223	146.2
[M]-	199.11333	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe