CID 3069312

N-(4-(6,8-dioxa-3-azabicyclo(3.2.1)oct-5-yl)phenyl)acetamide

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(=O)NC1=CC=C(C=C1)C23CNCC(O2)CO3
InChI
InChI=1S/C13H16N2O3/c1-9(16)15-11-4-2-10(3-5-11)13-8-14-6-12(18-13)7-17-13/h2-5,12,14H,6-8H2,1H3,(H,15,16)
InChIKey
SJTGBROKZJRNBA-UHFFFAOYSA-N
Compound name
N-[4-(6,8-dioxa-3-azabicyclo[3.2.1]octan-5-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 154.3
[M+Na]+ 271.10531 159.7
[M-H]- 247.10881 158.4
[M+NH4]+ 266.14991 171.4
[M+K]+ 287.07925 158.8
[M+H-H2O]+ 231.11335 147.7
[M+HCOO]- 293.11429 169.8
[M+CH3COO]- 307.12994 165.3
[M+Na-2H]- 269.09076 161.0
[M]+ 248.11554 151.8
[M]- 248.11664 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.