CID 136328646

1542340-73-7

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CC1=NN2CCCNC2=C1Br
InChI
InChI=1S/C7H10BrN3/c1-5-6(8)7-9-3-2-4-11(7)10-5/h9H,2-4H2,1H3
InChIKey
JCQAOQOBVAKCKR-UHFFFAOYSA-N
Compound name
3-bromo-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01309 144.7
[M+Na]+ 237.99503 147.1
[M+NH4]+ 233.03963 149.3
[M+K]+ 253.96897 148.5
[M-H]- 213.99853 143.5
[M+Na-2H]- 235.98048 145.7
[M]+ 215.00526 143.3
[M]- 215.00636 143.3
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.