CID 13297832

1379427-51-6

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]+ 186.11248 144.1
[M+Na]+ 208.09442 149.2
[M-H]- 184.09792 146.5
[M+NH4]+ 203.13902 158.4
[M+K]+ 224.06836 151.7
[M+H-H2O]+ 168.10246 134.9
[M+HCOO]- 230.10340 163.3
[M+CH3COO]- 244.11905 187.0
[M+Na-2H]- 206.07987 145.8
[M]+ 185.10465 151.9
[M]- 185.10575 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.