CID 20190609

105871-53-2

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC(C(=O)O)C1(CCC1)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-7(8(13)14)11(16)5-4-6-11/h7,16H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
UJXNTIFRNVJPKD-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclobutyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.12633 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 161.7
[M+Na]+ 268.11555 163.4
[M-H]- 244.11905 161.8
[M+NH4]+ 263.16015 172.1
[M+K]+ 284.08949 167.0
[M+H-H2O]+ 228.12359 151.9
[M+HCOO]- 290.12453 176.6
[M+CH3COO]- 304.14018 192.2
[M+Na-2H]- 266.10100 162.9
[M]+ 245.12578 169.0
[M]- 245.12688 169.0
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

patents stripe