CID 9573501

2,4-pentanedioxime

Structural Information

Molecular Formula

C₅H₁₀N₂O₂

SMILES

C/C(=N\O)/C/C(=N/O)/C

InChI

InChI=1S/C5H10N2O2/c1-4(6-8)3-5(2)7-9/h8-9H,3H2,1-2H3/b6-4+,7-5+

InChIKey

WBRYLZHYOFBTPD-YDFGWWAZSA-N

Compound name

(NE)-N-[(4E)-4-hydroxyiminopentan-2-ylidene]hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 194
Patents: 130.07423 Da
Monoisotopic Mass: 0.3
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]+	131.081506	126.9
[M+Na]+	153.063448	133.0
[M-H]-	129.066954	127.5
[M+NH4]+	148.108053	148.3
[M+K]+	169.037388	133.6
[M+H-H2O]+	113.071490	121.7
[M+HCOO]-	175.072431	151.9
[M+CH3COO]-	189.088081	176.3
[M+Na-2H]-	151.048896	132.3
[M]+	130.07368142	126.1
[M]-	130.07477858	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe