CID 42245

57269-17-7

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CN1C2CCC1CN(C2)C(=O)CC(=O)O
InChI
InChI=1S/C10H16N2O3/c1-11-7-2-3-8(11)6-12(5-7)9(13)4-10(14)15/h7-8H,2-6H2,1H3,(H,14,15)
InChIKey
DJILXZDYSGJWKM-UHFFFAOYSA-N
Compound name
3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12337 148.2
[M+Na]+ 235.10531 155.8
[M+NH4]+ 230.14991 154.5
[M+K]+ 251.07925 154.1
[M-H]- 211.10881 145.5
[M+Na-2H]- 233.09076 147.2
[M]+ 212.11554 147.9
[M]- 212.11664 147.9
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.