CID 129860098

2228692-94-0

Structural Information

Molecular Formula
C7H11NO4
SMILES
COC(=O)C1(CC(C1)C(=O)O)N
InChI
InChI=1S/C7H11NO4/c1-12-6(11)7(8)2-4(3-7)5(9)10/h4H,2-3,8H2,1H3,(H,9,10)
InChIKey
HEBNSIXWKSLEDF-UHFFFAOYSA-N
Compound name
3-amino-3-methoxycarbonylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0688 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.076076 138.7
[M+Na]+ 196.058018 143.5
[M-H]- 172.061524 140.5
[M+NH4]+ 191.102623 152.7
[M+K]+ 212.031958 146.7
[M+H-H2O]+ 156.066060 129.1
[M+HCOO]- 218.067001 158.1
[M+CH3COO]- 232.082651 181.4
[M+Na-2H]- 194.043466 141.1
[M]+ 173.06825142 145.8
[M]- 173.06934858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.