CID 168027

N-methylloline

Structural Information

Molecular Formula
C9H16N2O
SMILES
CN(C)[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3
InChI
InChI=1S/C9H16N2O/c1-10(2)8-7-5-11-4-3-6(12-7)9(8)11/h6-9H,3-5H2,1-2H3/t6-,7+,8-,9+/m0/s1
InChIKey
FIWXXQWEVIQSAB-UYXSQOIJSA-N
Compound name
(1R,3S,7S,8R)-N,N-dimethyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

168.12627 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.133546 138.1
[M+Na]+ 191.115488 145.0
[M-H]- 167.118994 141.9
[M+NH4]+ 186.160093 164.4
[M+K]+ 207.089428 145.8
[M+H-H2O]+ 151.123530 133.8
[M+HCOO]- 213.124471 157.9
[M+CH3COO]- 227.140121 151.8
[M+Na-2H]- 189.100936 140.8
[M]+ 168.12572142 139.6
[M]- 168.12681858 139.6
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