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]+ 211.180496 150.4
[M+Na]+ 233.162438 153.8
[M-H]- 209.165944 151.9
[M+NH4]+ 228.207043 168.5
[M+K]+ 249.136378 151.7
[M+H-H2O]+ 193.170480 143.3
[M+HCOO]- 255.171421 165.6
[M+CH3COO]- 269.187071 190.8
[M+Na-2H]- 231.147886 152.9
[M]+ 210.17267142 143.4
[M]- 210.17376858 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.