CID 115596

63990-34-1

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CN1CC2CCC(C1)N2C(=O)C(=O)OC
InChI
InChI=1S/C10H16N2O3/c1-11-5-7-3-4-8(6-11)12(7)9(13)10(14)15-2/h7-8H,3-6H2,1-2H3
InChIKey
BOKLXRSOBOAPTP-UHFFFAOYSA-N
Compound name
methyl 2-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.3
[M+Na]+ 235.10531 154.7
[M-H]- 211.10881 148.0
[M+NH4]+ 230.14991 167.8
[M+K]+ 251.07925 153.9
[M+H-H2O]+ 195.11335 142.0
[M+HCOO]- 257.11429 163.5
[M+CH3COO]- 271.12994 186.3
[M+Na-2H]- 233.09076 149.8
[M]+ 212.11554 147.5
[M]- 212.11664 147.5
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.