CID 21210

N-butoxy-2-propanol

Structural Information

Molecular Formula

C₇H₁₆O₂

SMILES

CCCCOCC(C)O

InChI

InChI=1S/C7H16O2/c1-3-4-5-9-6-7(2)8/h7-8H,3-6H2,1-2H3

InChIKey

RWNUSVWFHDHRCJ-UHFFFAOYSA-N

Compound name

1-butoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 8
References: 86886
Patents: 132.11504 Da
Monoisotopic Mass: 1.1
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]+	133.122316	130.7
[M+Na]+	155.104258	136.9
[M-H]-	131.107764	129.5
[M+NH4]+	150.148863	152.2
[M+K]+	171.078198	136.9
[M+H-H2O]+	115.112300	126.3
[M+HCOO]-	177.113241	152.2
[M+CH3COO]-	191.128891	172.3
[M+Na-2H]-	153.089706	135.5
[M]+	132.11449142	132.7
[M]-	132.11558858	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe