CID 302433

521286-38-4

Structural Information

Molecular Formula
C10H19NO4
SMILES
CCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO4/c1-5-6-7(8(12)13)11-9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)
InChIKey
INWOAUUPYIXDHN-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1094
Patents

217.13141 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.13869 150.7
[M+Na]+ 240.12063 156.5
[M+NH4]+ 235.16523 155.1
[M+K]+ 256.09457 155.0
[M-H]- 216.12413 146.9
[M+Na-2H]- 238.10608 150.6
[M]+ 217.13086 149.9
[M]- 217.13196 149.9
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