CID 19097327

844439-97-0

Structural Information

Molecular Formula

C₁₀H₁₉NO₄

SMILES

CC(CC(=O)O)N(C)C(=O)OC(C)(C)C

InChI

InChI=1S/C10H19NO4/c1-7(6-8(12)13)11(5)9(14)15-10(2,3)4/h7H,6H2,1-5H3,(H,12,13)

InChIKey

XQHMMBUTUOAXHP-UHFFFAOYSA-N

Compound name

3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 217.13141 Da
Monoisotopic Mass: 1.0
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]+	218.13869	149.6
[M+Na]+	240.12063	154.6
[M-H]-	216.12413	149.8
[M+NH4]+	235.16523	167.9
[M+K]+	256.09457	156.5
[M+H-H2O]+	200.12867	144.7
[M+HCOO]-	262.12961	169.1
[M+CH3COO]-	276.14526	192.1
[M+Na-2H]-	238.10608	150.9
[M]+	217.13086	152.7
[M]-	217.13196	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe