CID 3070928

87168-40-9

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CN1C2CCC1CC(C2)OC(=O)CCN(C)C
InChI
InChI=1S/C13H24N2O2/c1-14(2)7-6-13(16)17-12-8-10-4-5-11(9-12)15(10)3/h10-12H,4-9H2,1-3H3
InChIKey
AEGZCGWJHCBZQT-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(dimethylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 158.9
[M+Na]+ 263.17300 163.2
[M-H]- 239.17650 160.8
[M+NH4]+ 258.21760 179.0
[M+K]+ 279.14694 162.6
[M+H-H2O]+ 223.18104 152.4
[M+HCOO]- 285.18198 176.5
[M+CH3COO]- 299.19763 200.1
[M+Na-2H]- 261.15845 159.8
[M]+ 240.18323 159.2
[M]- 240.18433 159.2
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.