CID 24705328

4-(propan-2-yloxy)butanoic acid

Structural Information

Molecular Formula

C₇H₁₄O₃

SMILES

CC(C)OCCCC(=O)O

InChI

InChI=1S/C7H14O3/c1-6(2)10-5-3-4-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChIKey

QEILUWNNSOGIFP-UHFFFAOYSA-N

Compound name

4-propan-2-yloxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 146.0943 Da
Monoisotopic Mass: 0.7
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]+	147.10158	132.2
[M+Na]+	169.08352	138.4
[M-H]-	145.08702	131.1
[M+NH4]+	164.12812	152.9
[M+K]+	185.05746	138.8
[M+H-H2O]+	129.09156	127.7
[M+HCOO]-	191.09250	153.1
[M+CH3COO]-	205.10815	174.2
[M+Na-2H]-	167.06897	135.7
[M]+	146.09375	134.3
[M]-	146.09485	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe