CID 1512542

475649-32-2

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

C1COCCC1[C@H](C(=O)O)N

InChI

InChI=1S/C7H13NO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4,8H2,(H,9,10)/t6-/m1/s1

InChIKey

XLZJPHKIECMDPG-ZCFIWIBFSA-N

Compound name

(2R)-2-amino-2-(oxan-4-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 159.08954 Da
Monoisotopic Mass: -2.8
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]+	160.096816	134.6
[M+Na]+	182.078758	138.2
[M-H]-	158.082264	136.1
[M+NH4]+	177.123363	152.3
[M+K]+	198.052698	138.9
[M+H-H2O]+	142.086800	128.9
[M+HCOO]-	204.087741	152.3
[M+CH3COO]-	218.103391	175.1
[M+Na-2H]-	180.064206	138.0
[M]+	159.08899142	128.8
[M]-	159.09008858	128.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe