CID 15597799

111525-71-4

Structural Information

Molecular Formula

C₆H₁₁N₃O₂

SMILES

CC(C)(C)[C@@H](C(=O)O)N=[N+]=[N-]

InChI

InChI=1S/C6H11N3O2/c1-6(2,3)4(5(10)11)8-9-7/h4H,1-3H3,(H,10,11)/t4-/m1/s1

InChIKey

VAIDLLPVBKRXOK-SCSAIBSYSA-N

Compound name

(2S)-2-azido-3,3-dimethylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 157.08513 Da
Monoisotopic Mass: 2.7
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	131.2
[M+Na]+	180.07435	137.3
[M-H]-	156.07785	133.3
[M+NH4]+	175.11895	151.6
[M+K]+	196.04829	133.6
[M+H-H2O]+	140.08239	131.0
[M+HCOO]-	202.08333	157.7
[M+CH3COO]-	216.09898	178.0
[M+Na-2H]-	178.05980	139.8
[M]+	157.08458	128.7
[M]-	157.08568	128.7

Literature stripe

literature stripe

Patent stripe

patents stripe