CID 7015505

1-amino-4-oxocyclohexanecarboxylic acid ethylene ketal

Structural Information

Molecular Formula
C9H15NO4
SMILES
C1CC2(CCC1(C(=O)O)N)OCCO2
InChI
InChI=1S/C9H15NO4/c10-8(7(11)12)1-3-9(4-2-8)13-5-6-14-9/h1-6,10H2,(H,11,12)
InChIKey
HIIFALCQUKTUHB-UHFFFAOYSA-N
Compound name
8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

201.10011 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.107386 142.3
[M+Na]+ 224.089328 147.1
[M-H]- 200.092834 146.7
[M+NH4]+ 219.133933 162.9
[M+K]+ 240.063268 148.2
[M+H-H2O]+ 184.097370 138.1
[M+HCOO]- 246.098311 158.7
[M+CH3COO]- 260.113961 178.8
[M+Na-2H]- 222.074776 148.3
[M]+ 201.09956142 136.9
[M]- 201.10065858 136.9
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