CID 2761507

(r)-3-((tert-butoxycarbonyl)amino)butanoic acid

Structural Information

Molecular Formula

C₉H₁₇NO₄

SMILES

C[C@H](CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H17NO4/c1-6(5-7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1

InChIKey

PYNDHEONPQYIAN-ZCFIWIBFSA-N

Compound name

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 753
Patents: 203.11575 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	204.123026	146.3
[M+Na]+	226.104968	151.4
[M-H]-	202.108474	145.2
[M+NH4]+	221.149573	164.5
[M+K]+	242.078908	152.1
[M+H-H2O]+	186.113010	141.6
[M+HCOO]-	248.113951	165.5
[M+CH3COO]-	262.129601	185.6
[M+Na-2H]-	224.090416	148.7
[M]+	203.11520142	147.7
[M]-	203.11629858	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe