CID 145867218

2375271-21-7

Structural Information

Molecular Formula

C₉H₁₅BrN₄O₂

SMILES

CC(C)(C)OC(=O)NCCN1N=CC(=N1)Br

InChI

InChI=1S/C9H15BrN4O2/c1-9(2,3)16-8(15)11-4-5-14-12-6-7(10)13-14/h6H,4-5H2,1-3H3,(H,11,15)

InChIKey

YGWLMNMVENFSOO-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-(4-bromotriazol-2-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 290.03784 Da
Monoisotopic Mass: 1.9
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]+	291.04512	157.1
[M+Na]+	313.02706	168.1
[M-H]-	289.03056	159.9
[M+NH4]+	308.07166	174.4
[M+K]+	329.00100	158.0
[M+H-H2O]+	273.03510	155.1
[M+HCOO]-	335.03604	175.4
[M+CH3COO]-	349.05169	197.4
[M+Na-2H]-	311.01251	163.3
[M]+	290.03729	177.9
[M]-	290.03839	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe