CID 3301252

1-dipropylamino-2-butanol

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

CCCN(CCC)CC(CC)O

InChI

InChI=1S/C10H23NO/c1-4-7-11(8-5-2)9-10(12)6-3/h10,12H,4-9H2,1-3H3

InChIKey

SVAFAARLUVWPAQ-UHFFFAOYSA-N

Compound name

1-(dipropylamino)butan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 173.17796 Da
Monoisotopic Mass: 2.3
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]+	174.185236	145.8
[M+Na]+	196.167178	150.0
[M-H]-	172.170684	145.5
[M+NH4]+	191.211783	166.0
[M+K]+	212.141118	150.1
[M+H-H2O]+	156.175220	140.2
[M+HCOO]-	218.176161	167.5
[M+CH3COO]-	232.191811	187.8
[M+Na-2H]-	194.152626	148.3
[M]+	173.17741142	147.9
[M]-	173.17850858	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe