CID 145913439

2377035-29-3

Structural Information

Molecular Formula
C9H15BrN4O2
SMILES
CC(C)(C)OC(=O)NCC1=NN=C(N1C)Br
InChI
InChI=1S/C9H15BrN4O2/c1-9(2,3)16-8(15)11-5-6-12-13-7(10)14(6)4/h5H2,1-4H3,(H,11,15)
InChIKey
DVEUXZAQJBCUKA-UHFFFAOYSA-N
Compound name
tert-butyl N-[(5-bromo-4-methyl-1,2,4-triazol-3-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.03784 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04512 156.9
[M+Na]+ 313.02706 168.8
[M-H]- 289.03056 160.1
[M+NH4]+ 308.07166 174.5
[M+K]+ 329.00100 158.6
[M+H-H2O]+ 273.03510 155.2
[M+HCOO]- 335.03604 175.2
[M+CH3COO]- 349.05169 198.5
[M+Na-2H]- 311.01251 162.5
[M]+ 290.03729 178.1
[M]- 290.03839 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.