CID 9570558

4'-pyrrolidinylcarbonylmethoxyacetophenone oxime

Structural Information

Molecular Formula
C14H18N2O3
SMILES
C/C(=N\O)/C1=CC=C(C=C1)OCC(=O)N2CCCC2
InChI
InChI=1S/C14H18N2O3/c1-11(15-18)12-4-6-13(7-5-12)19-10-14(17)16-8-2-3-9-16/h4-7,18H,2-3,8-10H2,1H3/b15-11+
InChIKey
NFCWMHDXNVZEGI-RVDMUPIBSA-N
Compound name
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-1-pyrrolidin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 160.7
[M+Na]+ 285.12096 165.0
[M-H]- 261.12446 165.4
[M+NH4]+ 280.16556 176.9
[M+K]+ 301.09490 163.1
[M+H-H2O]+ 245.12900 152.5
[M+HCOO]- 307.12994 181.7
[M+CH3COO]- 321.14559 196.1
[M+Na-2H]- 283.10641 161.7
[M]+ 262.13119 159.3
[M]- 262.13229 159.3
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.