CID 13297832

3-[1-(hydroxyimino)ethyl]-2,2-dimethylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H15NO3
SMILES
C/C(=N\O)/C1CC(C1(C)C)C(=O)O
InChI
InChI=1S/C9H15NO3/c1-5(10-13)6-4-7(8(11)12)9(6,2)3/h6-7,13H,4H2,1-3H3,(H,11,12)/b10-5+
InChIKey
YOIRZJVLRCWQHH-BJMVGYQFSA-N
Compound name
3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2,2-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 144.1
[M+Na]+ 208.094418 149.2
[M-H]- 184.097924 146.5
[M+NH4]+ 203.139023 158.4
[M+K]+ 224.068358 151.7
[M+H-H2O]+ 168.102460 134.9
[M+HCOO]- 230.103401 163.3
[M+CH3COO]- 244.119051 187.0
[M+Na-2H]- 206.079866 145.8
[M]+ 185.10465142 151.9
[M]- 185.10574858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.