CID 146155173

2416217-59-7

Structural Information

Molecular Formula
C10H17BrN4O2
SMILES
C[C@H](C1=NN=C(N1C)Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17BrN4O2/c1-6(7-13-14-8(11)15(7)5)12-9(16)17-10(2,3)4/h6H,1-5H3,(H,12,16)/t6-/m1/s1
InChIKey
OSBGHDPMMDGDSR-ZCFIWIBFSA-N
Compound name
tert-butyl N-[(1R)-1-(5-bromo-4-methyl-1,2,4-triazol-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.06078 161.4
[M+Na]+ 327.04272 172.6
[M-H]- 303.04622 164.5
[M+NH4]+ 322.08732 178.3
[M+K]+ 343.01666 162.6
[M+H-H2O]+ 287.05076 159.5
[M+HCOO]- 349.05170 178.4
[M+CH3COO]- 363.06735 202.1
[M+Na-2H]- 325.02817 165.4
[M]+ 304.05295 182.3
[M]- 304.05405 182.3
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.