CID 24905419

N-acetylloline

Structural Information

Molecular Formula
C10H16N2O2
SMILES
CC(=O)N(C)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
InChI
InChI=1S/C10H16N2O2/c1-6(13)11(2)9-8-5-12-4-3-7(14-8)10(9)12/h7-10H,3-5H2,1-2H3/t7-,8+,9-,10+/m0/s1
InChIKey
YIZSKLHCDNIMHK-QCLAVDOMSA-N
Compound name
N-methyl-N-[(1R,3S,7S,8R)-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

196.12119 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 145.7
[M+Na]+ 219.11041 152.1
[M-H]- 195.11391 149.5
[M+NH4]+ 214.15501 170.8
[M+K]+ 235.08435 153.1
[M+H-H2O]+ 179.11845 141.6
[M+HCOO]- 241.11939 164.6
[M+CH3COO]- 255.13504 190.9
[M+Na-2H]- 217.09586 147.0
[M]+ 196.12064 147.6
[M]- 196.12174 147.6
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

patents stripe