CID 9570406

25555-21-9

Structural Information

Molecular Formula
C13H16N2O2
SMILES
COC1=CC=C(C=C1)C(=O)/C=N/N2CCCC2
InChI
InChI=1S/C13H16N2O2/c1-17-12-6-4-11(5-7-12)13(16)10-14-15-8-2-3-9-15/h4-7,10H,2-3,8-9H2,1H3/b14-10+
InChIKey
KPCCWMVIFFIQGS-GXDHUFHOSA-N
Compound name
(2E)-1-(4-methoxyphenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.12847 152.4
[M+Na]+ 255.11041 158.0
[M-H]- 231.11391 158.6
[M+NH4]+ 250.15501 170.6
[M+K]+ 271.08435 156.0
[M+H-H2O]+ 215.11845 144.1
[M+HCOO]- 277.11939 176.1
[M+CH3COO]- 291.13504 193.4
[M+Na-2H]- 253.09586 155.5
[M]+ 232.12064 151.8
[M]- 232.12174 151.8
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.