CID 3063874

101756-53-0

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC(=O)OC(C#N)(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)N3C
InChI
InChI=1S/C19H22N2O4/c1-13(22)25-19(12-20,14-6-4-3-5-7-14)18(23)24-17-10-15-8-9-16(11-17)21(15)2/h3-7,15-17H,8-11H2,1-2H3
InChIKey
HHYARXWYXGTUQJ-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-acetyloxy-2-cyano-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 184.5
[M+Na]+ 365.14718 191.2
[M-H]- 341.15068 187.0
[M+NH4]+ 360.19178 197.7
[M+K]+ 381.12112 185.6
[M+H-H2O]+ 325.15522 170.8
[M+HCOO]- 387.15616 195.2
[M+CH3COO]- 401.17181 219.7
[M+Na-2H]- 363.13263 184.7
[M]+ 342.15741 179.4
[M]- 342.15851 179.4
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.