CID 545848

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

Structural Information

Molecular Formula
C10H19NO4
SMILES
CC(C)(C)OC(=O)NCCCCC(=O)O
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
GFMRZAMDGJIWRB-UHFFFAOYSA-N
Compound name
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1073
Patents

217.13141 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.138686 151.2
[M+Na]+ 240.120628 156.1
[M-H]- 216.124134 149.8
[M+NH4]+ 235.165233 168.9
[M+K]+ 256.094568 156.0
[M+H-H2O]+ 200.128670 146.2
[M+HCOO]- 262.129611 171.1
[M+CH3COO]- 276.145261 187.7
[M+Na-2H]- 238.106076 154.3
[M]+ 217.13086142 153.6
[M]- 217.13195858 153.6
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