CID 22268047

2228082-50-4

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1C2(CC1(C2)C(=O)O)C(C(=O)O)N
InChI
InChI=1S/C8H11NO4/c9-4(5(10)11)7-1-8(2-7,3-7)6(12)13/h4H,1-3,9H2,(H,10,11)(H,12,13)
InChIKey
KNSHLWJBSDBBRH-UHFFFAOYSA-N
Compound name
3-[amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

185.0688 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 166.9
[M+Na]+ 208.05802 160.9
[M+NH4]+ 203.10262 164.4
[M+K]+ 224.03196 160.4
[M-H]- 184.06152 157.5
[M+Na-2H]- 206.04347 159.8
[M]+ 185.06825 160.4
[M]- 185.06935 160.4
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