CID 144402

1-butanol, 4-dipropylamino-

Structural Information

Molecular Formula

C₁₀H₂₃NO

SMILES

CCCN(CCC)CCCCO

InChI

InChI=1S/C10H23NO/c1-3-7-11(8-4-2)9-5-6-10-12/h12H,3-10H2,1-2H3

InChIKey

KYNWWRBJIBSVBX-UHFFFAOYSA-N

Compound name

4-(dipropylamino)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 173.17796 Da
Monoisotopic Mass: 2.1
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]+	174.18524	145.1
[M+Na]+	196.16718	149.6
[M-H]-	172.17068	144.7
[M+NH4]+	191.21178	165.4
[M+K]+	212.14112	149.2
[M+H-H2O]+	156.17522	139.5
[M+HCOO]-	218.17616	167.9
[M+CH3COO]-	232.19181	186.9
[M+Na-2H]-	194.15263	148.9
[M]+	173.17741	147.9
[M]-	173.17851	147.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe