CID 130320680

851960-68-4

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

CC1(N=N1)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C6H11N3O2/c1-6(8-9-6)3-2-4(7)5(10)11/h4H,2-3,7H2,1H3,(H,10,11)/t4-/m0/s1

InChIKey

YHZILLMARKDNKF-BYPYZUCNSA-N

Compound name

(2S)-2-amino-4-(3-methyldiazirin-3-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 157.08513 Da
Monoisotopic Mass: -2.4
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]+	158.092406	138.1
[M+Na]+	180.074348	147.6
[M-H]-	156.077854	138.8
[M+NH4]+	175.118953	152.3
[M+K]+	196.048288	145.5
[M+H-H2O]+	140.082390	132.2
[M+HCOO]-	202.083331	158.7
[M+CH3COO]-	216.098981	180.0
[M+Na-2H]-	178.059796	143.8
[M]+	157.08458142	140.7
[M]-	157.08567858	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe