CID 9576731

36559-87-2

Structural Information

Molecular Formula

C₅H₁₁NO₂

SMILES

CC(C)(CO)/C=N/O

InChI

InChI=1S/C5H11NO2/c1-5(2,4-7)3-6-8/h3,7-8H,4H2,1-2H3/b6-3+

InChIKey

ZIIOSFHXHLTBRD-ZZXKWVIFSA-N

Compound name

(3E)-3-hydroxyimino-2,2-dimethylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 117.07898 Da
Monoisotopic Mass: 0.2
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]+	118.086256	123.8
[M+Na]+	140.068198	130.9
[M-H]-	116.071704	123.1
[M+NH4]+	135.112803	145.6
[M+K]+	156.042138	130.6
[M+H-H2O]+	100.076240	119.9
[M+HCOO]-	162.077181	146.5
[M+CH3COO]-	176.092831	168.9
[M+Na-2H]-	138.053646	131.7
[M]+	117.07843142	123.5
[M]-	117.07952858	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe