CID 204455

16336-24-6

Structural Information

Molecular Formula
C12H22N2O
SMILES
CC(=O)N[C@H]1CCC[C@@H]2[C@@H]1CCN(C2)C
InChI
InChI=1S/C12H22N2O/c1-9(15)13-12-5-3-4-10-8-14(2)7-6-11(10)12/h10-12H,3-8H2,1-2H3,(H,13,15)/t10-,11-,12-/m0/s1
InChIKey
HVUPJAWRNLVWIU-SRVKXCTJSA-N
Compound name
N-[(4aS,5S,8aR)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-5-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.17322 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 150.4
[M+Na]+ 233.16244 153.8
[M-H]- 209.16594 151.9
[M+NH4]+ 228.20704 168.5
[M+K]+ 249.13638 151.7
[M+H-H2O]+ 193.17048 143.3
[M+HCOO]- 255.17142 165.6
[M+CH3COO]- 269.18707 190.8
[M+Na-2H]- 231.14789 152.9
[M]+ 210.17267 143.4
[M]- 210.17377 143.4
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.