CID 115603

63990-43-2

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]+ 199.14411 146.5
[M+Na]+ 221.12605 152.9
[M-H]- 197.12955 146.0
[M+NH4]+ 216.17065 166.7
[M+K]+ 237.09999 151.6
[M+H-H2O]+ 181.13409 139.9
[M+HCOO]- 243.13503 162.3
[M+CH3COO]- 257.15068 185.5
[M+Na-2H]- 219.11150 149.0
[M]+ 198.13628 145.7
[M]- 198.13738 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.