CID 114827

2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid

Structural Information

Molecular Formula
C8H11NO4
SMILES
C1CC(C2C1C2C(=O)O)(C(=O)O)N
InChI
InChI=1S/C8H11NO4/c9-8(7(12)13)2-1-3-4(5(3)8)6(10)11/h3-5H,1-2,9H2,(H,10,11)(H,12,13)
InChIKey
VTAARTQTOOYTES-UHFFFAOYSA-N
Compound name
2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

205
References

461
Patents

185.0688 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07608 135.0
[M+Na]+ 208.05802 144.4
[M-H]- 184.06152 137.6
[M+NH4]+ 203.10262 152.7
[M+K]+ 224.03196 141.0
[M+H-H2O]+ 168.06606 132.2
[M+HCOO]- 230.06700 153.4
[M+CH3COO]- 244.08265 182.1
[M+Na-2H]- 206.04347 138.0
[M]+ 185.06825 135.5
[M]- 185.06935 135.5
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