CID 199974

D-3-9

Structural Information

Molecular Formula

C₁₄H₂₉N

SMILES

CCCCNC(C)(C)CC1CCCCC1

InChI

InChI=1S/C14H29N/c1-4-5-11-15-14(2,3)12-13-9-7-6-8-10-13/h13,15H,4-12H2,1-3H3

InChIKey

IUBPWEZHKFSJCH-UHFFFAOYSA-N

Compound name

N-butyl-1-cyclohexyl-2-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 211.23 Da
Monoisotopic Mass: 4.8
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]+	212.23728	156.0
[M+Na]+	234.21922	157.7
[M-H]-	210.22272	157.7
[M+NH4]+	229.26382	174.3
[M+K]+	250.19316	155.6
[M+H-H2O]+	194.22726	149.8
[M+HCOO]-	256.22820	173.9
[M+CH3COO]-	270.24385	192.9
[M+Na-2H]-	232.20467	159.4
[M]+	211.22945	152.2
[M]-	211.23055	152.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe