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

0
Patents

199.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.