CID 115603

3-methyl-8-propionyloxy-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CCC(=O)ON1C2CCC1CN(C2)C
InChI
InChI=1S/C10H18N2O2/c1-3-10(13)14-12-8-4-5-9(12)7-11(2)6-8/h8-9H,3-7H2,1-2H3
InChIKey
IYUIRFKKWDARLN-UHFFFAOYSA-N
Compound name
(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 146.5
[M+Na]+ 221.126048 152.9
[M-H]- 197.129554 146.0
[M+NH4]+ 216.170653 166.7
[M+K]+ 237.099988 151.6
[M+H-H2O]+ 181.134090 139.9
[M+HCOO]- 243.135031 162.3
[M+CH3COO]- 257.150681 185.5
[M+Na-2H]- 219.111496 149.0
[M]+ 198.13628142 145.7
[M]- 198.13737858 145.7
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.