CID 22309196

874583-03-6

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)NC(C1CCOC1)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-8(9(13)14)7-4-5-16-6-7/h7-8H,4-6H2,1-3H3,(H,12,15)(H,13,14)
InChIKey
UKIWAWYDWRFUKS-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxolan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

245.12633 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 156.5
[M+Na]+ 268.11555 159.6
[M-H]- 244.11905 158.5
[M+NH4]+ 263.16015 172.8
[M+K]+ 284.08949 161.2
[M+H-H2O]+ 228.12359 151.2
[M+HCOO]- 290.12453 173.7
[M+CH3COO]- 304.14018 190.2
[M+Na-2H]- 266.10100 157.9
[M]+ 245.12578 156.0
[M]- 245.12688 156.0
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