CID 64256

Brn 2100916

Structural Information

Molecular Formula

C₁₇H₃₁NO₂

SMILES

CC(C)NCC(COCC12CC3CC(C1)CC(C3)C2)O

InChI

InChI=1S/C17H31NO2/c1-12(2)18-9-16(19)10-20-11-17-6-13-3-14(7-17)5-15(4-13)8-17/h12-16,18-19H,3-11H2,1-2H3

InChIKey

HHDMTWMQSWWWQI-UHFFFAOYSA-N

Compound name

1-(1-adamantylmethoxy)-3-(propan-2-ylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 281.23547 Da
Monoisotopic Mass: 2.7
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]+	282.242746	172.9
[M+Na]+	304.224688	171.1
[M-H]-	280.228194	165.4
[M+NH4]+	299.269293	194.4
[M+K]+	320.198628	168.3
[M+H-H2O]+	264.232730	166.8
[M+HCOO]-	326.233671	176.1
[M+CH3COO]-	340.249321	210.3
[M+Na-2H]-	302.210136	179.6
[M]+	281.23492142	172.9
[M]-	281.23601858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe