CID 12950986

4-(isopropylamino)butanol

Structural Information

Molecular Formula

SMILES

CC(C)NCCCCO

InChI

InChI=1S/C7H17NO/c1-7(2)8-5-3-4-6-9/h7-9H,3-6H2,1-2H3

InChIKey

IPLWOCGPIGUXOR-UHFFFAOYSA-N

Compound name

4-(propan-2-ylamino)butan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 218
Patents: 131.13101 Da
Monoisotopic Mass: 0.6
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]+	132.13829	130.2
[M+Na]+	154.12023	138.9
[M+NH4]+	149.16483	137.9
[M+K]+	170.09417	133.8
[M-H]-	130.12373	129.8
[M+Na-2H]-	152.10568	133.4
[M]+	131.13046	131.0
[M]-	131.13156	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe