CID 5458250

Pinonic acid oxime

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

C/C(=N\O)/C1CC(C1(C)C)CC(=O)O

InChI

InChI=1S/C10H17NO3/c1-6(11-14)8-4-7(5-9(12)13)10(8,2)3/h7-8,14H,4-5H2,1-3H3,(H,12,13)/b11-6+

InChIKey

INCRTJCZZQLOSX-IZZDOVSWSA-N

Compound name

2-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutyl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3
Patents: 199.12085 Da
Monoisotopic Mass: 1.2
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]+	200.12813	148.7
[M+Na]+	222.11007	153.4
[M-H]-	198.11357	151.0
[M+NH4]+	217.15467	162.5
[M+K]+	238.08401	155.7
[M+H-H2O]+	182.11811	139.3
[M+HCOO]-	244.11905	167.6
[M+CH3COO]-	258.13470	189.9
[M+Na-2H]-	220.09552	149.9
[M]+	199.12030	156.9
[M]-	199.12140	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe