CID 87566391

1013401-79-0

Structural Information

Molecular Formula
C10H17NO6
SMILES
CC(C)(C)OC(=O)N(CC(=O)O)CC(=O)OC
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(15)11(5-7(12)13)6-8(14)16-4/h5-6H2,1-4H3,(H,12,13)
InChIKey
IAFATQATYJUNQN-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

247.10559 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 152.9
[M+Na]+ 270.09481 158.0
[M-H]- 246.09831 153.1
[M+NH4]+ 265.13941 169.8
[M+K]+ 286.06875 160.4
[M+H-H2O]+ 230.10285 147.7
[M+HCOO]- 292.10379 173.1
[M+CH3COO]- 306.11944 194.8
[M+Na-2H]- 268.08026 154.6
[M]+ 247.10504 158.2
[M]- 247.10614 158.2
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