CID 11099624

2,5-bis({[(tert-butoxy)carbonyl]amino})pentanoic acid

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

84
Patents

332.19473 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.202006 178.8
[M+Na]+ 355.183948 180.8
[M-H]- 331.187454 176.9
[M+NH4]+ 350.228553 192.3
[M+K]+ 371.157888 182.2
[M+H-H2O]+ 315.191990 173.1
[M+HCOO]- 377.192931 192.8
[M+CH3COO]- 391.208581 211.6
[M+Na-2H]- 353.169396 179.1
[M]+ 332.19418142 182.3
[M]- 332.19527858 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