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: 13
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]+	158.09241	135.3
[M+Na]+	180.07435	145.5
[M+NH4]+	175.11895	142.9
[M+K]+	196.04829	142.3
[M-H]-	156.07785	140.8
[M+Na-2H]-	178.05980	142.6
[M]+	157.08458	139.1
[M]-	157.08568	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe