CID 11768613

2-tert-butoxypropan-1-ol

Structural Information

Molecular Formula

C₇H₁₆O₂

SMILES

CC(CO)OC(C)(C)C

InChI

InChI=1S/C7H16O2/c1-6(5-8)9-7(2,3)4/h6,8H,5H2,1-4H3

InChIKey

GIWJLGYZXWVBDL-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxy]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 284
Patents: 132.11504 Da
Monoisotopic Mass: 0.8
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	130.2
[M+Na]+	155.104258	137.0
[M-H]-	131.107764	129.4
[M+NH4]+	150.148863	152.0
[M+K]+	171.078198	137.4
[M+H-H2O]+	115.112300	126.6
[M+HCOO]-	177.113241	150.2
[M+CH3COO]-	191.128891	172.0
[M+Na-2H]-	153.089706	135.7
[M]+	132.11449142	131.7
[M]-	132.11558858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe