CID 53685599

Schembl2090558

Structural Information

Molecular Formula

C₇H₁₃NO₂

SMILES

CN(C)[C@@H](C1CC1)C(=O)O

InChI

InChI=1S/C7H13NO2/c1-8(2)6(7(9)10)5-3-4-5/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m0/s1

InChIKey

BJQPNDLYNSINAJ-LURJTMIESA-N

Compound name

(2S)-2-cyclopropyl-2-(dimethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 143.09464 Da
Monoisotopic Mass: -1.6
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]+	144.10192	129.5
[M+Na]+	166.08386	137.0
[M-H]-	142.08736	134.3
[M+NH4]+	161.12846	145.8
[M+K]+	182.05780	136.4
[M+H-H2O]+	126.09190	123.7
[M+HCOO]-	188.09284	152.2
[M+CH3COO]-	202.10849	182.4
[M+Na-2H]-	164.06931	133.4
[M]+	143.09409	132.0
[M]-	143.09519	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe