CID 4234802

1-(boc-amino)adamantane

Structural Information

Molecular Formula

C₁₅H₂₅NO₂

SMILES

CC(C)(C)OC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C15H25NO2/c1-14(2,3)18-13(17)16-15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,4-9H2,1-3H3,(H,16,17)

InChIKey

LSVGBVIPHLXQPG-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-adamantyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 442
Patents: 251.18852 Da
Monoisotopic Mass: 3.6
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]+	252.19580	164.8
[M+Na]+	274.17774	165.4
[M-H]-	250.18124	159.5
[M+NH4]+	269.22234	188.6
[M+K]+	290.15168	163.4
[M+H-H2O]+	234.18578	159.4
[M+HCOO]-	296.18672	169.9
[M+CH3COO]-	310.20237	203.8
[M+Na-2H]-	272.16319	175.0
[M]+	251.18797	165.4
[M]-	251.18907	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe