CID 72218162

1393558-23-0

Structural Information

Molecular Formula
C6H10BrN3
SMILES
CC(C)CN1C=C(N=N1)Br
InChI
InChI=1S/C6H10BrN3/c1-5(2)3-10-4-6(7)8-9-10/h4-5H,3H2,1-2H3
InChIKey
MJMIALIZLAAVII-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-methylpropyl)triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.00581 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.013086 134.4
[M+Na]+ 225.995028 147.3
[M-H]- 201.998534 137.4
[M+NH4]+ 221.039633 155.4
[M+K]+ 241.968968 137.6
[M+H-H2O]+ 186.003070 133.4
[M+HCOO]- 248.004011 153.8
[M+CH3COO]- 262.019661 183.2
[M+Na-2H]- 223.980476 141.2
[M]+ 203.00526142 153.9
[M]- 203.00635858 153.9
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

patents stripe