CID 303815

Nsc193497

Structural Information

Molecular Formula

C₁₄H₂₅NS

SMILES

CC12CC3CC(C1)(CC(C3)(C2)SCCN)C

InChI

InChI=1S/C14H25NS/c1-12-5-11-6-13(2,8-12)10-14(7-11,9-12)16-4-3-15/h11H,3-10,15H2,1-2H3

InChIKey

PJNLZPUPVVRWDL-UHFFFAOYSA-N

Compound name

2-[(3,5-dimethyl-1-adamantyl)sulfanyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 239.17078 Da
Monoisotopic Mass: 3.9
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]+	240.17806	157.4
[M+Na]+	262.16000	160.3
[M-H]-	238.16350	151.4
[M+NH4]+	257.20460	185.5
[M+K]+	278.13394	156.5
[M+H-H2O]+	222.16804	151.4
[M+HCOO]-	284.16898	159.3
[M+CH3COO]-	298.18463	165.3
[M+Na-2H]-	260.14545	168.0
[M]+	239.17023	159.7
[M]-	239.17133	159.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe