CID 1310

1-aminocyclopentane-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1CC(CC1C(=O)O)(C(=O)O)N
InChI
InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)
InChIKey
YFYNOWXBIBKGHB-UHFFFAOYSA-N
Compound name
1-aminocyclopentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

960
References

1679
Patents

173.0688 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 136.4
[M+Na]+ 196.05802 142.1
[M+NH4]+ 191.10262 143.3
[M+K]+ 212.03196 140.5
[M-H]- 172.06152 134.4
[M+Na-2H]- 194.04347 138.5
[M]+ 173.06825 136.0
[M]- 173.06935 136.0
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