CID 1226

17079-18-4

Structural Information

Molecular Formula
C7H11NO4
SMILES
C1CC(C(NC1)C(=O)O)C(=O)O
InChI
InChI=1S/C7H11NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)
InChIKey
PTLWNCBCBZZBJI-UHFFFAOYSA-N
Compound name
piperidine-2,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

138
References

433
Patents

173.0688 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.07608 136.1
[M+Na]+ 196.05802 140.8
[M-H]- 172.06152 133.7
[M+NH4]+ 191.10262 152.4
[M+K]+ 212.03196 139.1
[M+H-H2O]+ 156.06606 130.5
[M+HCOO]- 218.06700 150.4
[M+CH3COO]- 232.08265 170.9
[M+Na-2H]- 194.04347 137.8
[M]+ 173.06825 129.4
[M]- 173.06935 129.4
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