CID 167726918

(3s)-3-{[(tert-butoxy)carbonyl](methyl)amino}pentanoic acid

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC[C@@H](CC(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO4/c1-6-8(7-9(13)14)12(5)10(15)16-11(2,3)4/h8H,6-7H2,1-5H3,(H,13,14)/t8-/m0/s1
InChIKey
LWTFASBZQNWUON-QMMMGPOBSA-N
Compound name
(3S)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 154.3
[M+Na]+ 254.13628 158.9
[M-H]- 230.13978 154.4
[M+NH4]+ 249.18088 172.1
[M+K]+ 270.11022 160.5
[M+H-H2O]+ 214.14432 149.3
[M+HCOO]- 276.14526 173.5
[M+CH3COO]- 290.16091 195.1
[M+Na-2H]- 252.12173 155.1
[M]+ 231.14651 157.8
[M]- 231.14761 157.8
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

No patent data available for this compound.