CID 165997997

2152548-00-8

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)N(CCC(=O)OC)CC(=O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12(7-8(13)14)6-5-9(15)17-4/h5-7H2,1-4H3,(H,13,14)
InChIKey
BQQRINDWZHBCBN-UHFFFAOYSA-N
Compound name
2-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.12125 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 157.6
[M+Na]+ 284.11047 162.3
[M-H]- 260.11397 157.6
[M+NH4]+ 279.15507 173.9
[M+K]+ 300.08441 164.5
[M+H-H2O]+ 244.11851 152.2
[M+HCOO]- 306.11945 177.5
[M+CH3COO]- 320.13510 197.7
[M+Na-2H]- 282.09592 158.8
[M]+ 261.12070 163.3
[M]- 261.12180 163.3
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.