CID 19620698

(4-bromo-1-methyl-1h-pyrazol-3-yl)methanamine

Structural Information

Molecular Formula
C5H8BrN3
SMILES
CN1C=C(C(=N1)CN)Br
InChI
InChI=1S/C5H8BrN3/c1-9-3-4(6)5(2-7)8-9/h3H,2,7H2,1H3
InChIKey
MQRWZRWVHPJPON-UHFFFAOYSA-N
Compound name
(4-bromo-1-methylpyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

188.99016 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.997436 130.6
[M+Na]+ 211.979378 143.9
[M-H]- 187.982884 134.6
[M+NH4]+ 207.023983 153.0
[M+K]+ 227.953318 133.2
[M+H-H2O]+ 171.987420 129.6
[M+HCOO]- 233.988361 152.6
[M+CH3COO]- 248.004011 181.7
[M+Na-2H]- 209.964826 137.5
[M]+ 188.98961142 148.3
[M]- 188.99070858 148.3
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

patents stripe