CID 10988

Diisoamylamine

Structural Information

Molecular Formula

C₁₀H₂₃N

SMILES

CC(C)CCNCCC(C)C

InChI

InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3

InChIKey

SPVVMXMTSODFPU-UHFFFAOYSA-N

Compound name

3-methyl-N-(3-methylbutyl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5822
Patents: 157.18304 Da
Monoisotopic Mass: 3.2
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]+	158.19032	142.7
[M+Na]+	180.17226	146.9
[M-H]-	156.17576	142.4
[M+NH4]+	175.21686	163.5
[M+K]+	196.14620	146.6
[M+H-H2O]+	140.18030	137.4
[M+HCOO]-	202.18124	164.1
[M+CH3COO]-	216.19689	185.9
[M+Na-2H]-	178.15771	145.2
[M]+	157.18249	143.3
[M]-	157.18359	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe