CID 11099624

1154761-18-8

Structural Information

Molecular Formula
C15H28N2O6
SMILES
CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17-13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,16,20)(H,17,21)(H,18,19)
InChIKey
RJOJSMIZZYHNQG-UHFFFAOYSA-N
Compound name
2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

332.19473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20201 178.8
[M+Na]+ 355.18395 180.8
[M-H]- 331.18745 176.9
[M+NH4]+ 350.22855 192.3
[M+K]+ 371.15789 182.2
[M+H-H2O]+ 315.19199 173.1
[M+HCOO]- 377.19293 192.8
[M+CH3COO]- 391.20858 211.6
[M+Na-2H]- 353.16940 179.1
[M]+ 332.19418 182.3
[M]- 332.19528 182.3
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

patents stripe