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]+ 216.01309 137.5
[M+Na]+ 237.99503 152.3
[M-H]- 213.99853 142.0
[M+NH4]+ 233.03963 162.8
[M+K]+ 253.96897 142.5
[M+H-H2O]+ 198.00307 137.8
[M+HCOO]- 260.00401 157.0
[M+CH3COO]- 274.01966 153.6
[M+Na-2H]- 235.98048 144.4
[M]+ 215.00526 157.0
[M]- 215.00636 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.