CID 254272

2-isopropylideneaminooxy-butyric acid

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CCC(C(=O)O)ON=C(C)C

InChI

InChI=1S/C7H13NO3/c1-4-6(7(9)10)11-8-5(2)3/h6H,4H2,1-3H3,(H,9,10)

InChIKey

BGKAMYFJKFYFAJ-UHFFFAOYSA-N

Compound name

2-(propan-2-ylideneamino)oxybutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 159.08954 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]+	160.096816	134.7
[M+Na]+	182.078758	140.5
[M-H]-	158.082264	135.0
[M+NH4]+	177.123363	155.1
[M+K]+	198.052698	141.6
[M+H-H2O]+	142.086800	129.5
[M+HCOO]-	204.087741	157.3
[M+CH3COO]-	218.103391	181.1
[M+Na-2H]-	180.064206	137.6
[M]+	159.08899142	136.4
[M]-	159.09008858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe