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]+ 174.07608 138.7
[M+Na]+ 196.05802 143.5
[M-H]- 172.06152 140.5
[M+NH4]+ 191.10262 152.7
[M+K]+ 212.03196 146.7
[M+H-H2O]+ 156.06606 129.1
[M+HCOO]- 218.06700 158.1
[M+CH3COO]- 232.08265 181.4
[M+Na-2H]- 194.04347 141.1
[M]+ 173.06825 145.8
[M]- 173.06935 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.