CID 12450869

69491-42-5

Structural Information

Molecular Formula
C7H12N2O2
SMILES
C1CN2CCN1CC2C(=O)O
InChI
InChI=1S/C7H12N2O2/c10-7(11)6-5-8-1-3-9(6)4-2-8/h6H,1-5H2,(H,10,11)
InChIKey
IUCABINPROMHPV-UHFFFAOYSA-N
Compound name
1,4-diazabicyclo[2.2.2]octane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

156.08987 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.097146 131.8
[M+Na]+ 179.079088 136.3
[M-H]- 155.082594 124.6
[M+NH4]+ 174.123693 153.7
[M+K]+ 195.053028 135.1
[M+H-H2O]+ 139.087130 126.6
[M+HCOO]- 201.088071 140.2
[M+CH3COO]- 215.103721 141.8
[M+Na-2H]- 177.064536 142.8
[M]+ 156.08932142 131.3
[M]- 156.09041858 131.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe