CID 177799191

3-bromo-5,5-dimethyl-4h,5h,6h-pyrrolo[1,2-c][1,2,3]triazole

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CC1(CC2=C(N=NN2C1)Br)C
InChI
InChI=1S/C7H10BrN3/c1-7(2)3-5-6(8)9-10-11(5)4-7/h3-4H2,1-2H3
InChIKey
OIGIGMFALZSJEQ-UHFFFAOYSA-N
Compound name
3-bromo-5,5-dimethyl-4,6-dihydropyrrolo[1,2-c]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.013086 137.5
[M+Na]+ 237.995028 152.3
[M-H]- 213.998534 142.0
[M+NH4]+ 233.039633 162.8
[M+K]+ 253.968968 142.5
[M+H-H2O]+ 198.003070 137.8
[M+HCOO]- 260.004011 157.0
[M+CH3COO]- 274.019661 153.6
[M+Na-2H]- 235.980476 144.4
[M]+ 215.00526142 157.0
[M]- 215.00635858 157.0
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.