CID 105533159

1639216-47-9

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-8-5-4-7(8)6-9(13)14/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1
InChIKey
XEJQQXKDTNNNMU-HTQZYQBOSA-N
Compound name
2-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.138686 155.6
[M+Na]+ 252.120628 158.4
[M-H]- 228.124134 157.2
[M+NH4]+ 247.165233 166.0
[M+K]+ 268.094568 161.4
[M+H-H2O]+ 212.128670 144.5
[M+HCOO]- 274.129611 172.9
[M+CH3COO]- 288.145261 193.2
[M+Na-2H]- 250.106076 156.6
[M]+ 229.13086142 164.1
[M]- 229.13195858 164.1
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.