CID 433622

120341-33-5

Structural Information

Molecular Formula
C10H17NO6
SMILES
CC(C)(C)OC(=O)NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C10H17NO6/c1-10(2,3)17-9(16)11-6(8(14)15)4-5-7(12)13/h6H,4-5H2,1-3H3,(H,11,16)(H,12,13)(H,14,15)
InChIKey
AQTUACKQXJNHFQ-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2237
Patents

247.10559 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.11287 154.7
[M+Na]+ 270.09481 158.7
[M+NH4]+ 265.13941 157.1
[M+K]+ 286.06875 159.4
[M-H]- 246.09831 148.8
[M+Na-2H]- 268.08026 152.7
[M]+ 247.10504 152.7
[M]- 247.10614 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe