CID 68378202

2411288-87-2

Structural Information

Molecular Formula
C5H7BrN2
SMILES
CN1C=C(C=C1N)Br
InChI
InChI=1S/C5H7BrN2/c1-8-3-4(6)2-5(8)7/h2-3H,7H2,1H3
InChIKey
WJRMZNLELQMBQR-UHFFFAOYSA-N
Compound name
4-bromo-1-methylpyrrol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.97926 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 132.7
[M+Na]+ 196.96848 134.9
[M+NH4]+ 192.01308 137.7
[M+K]+ 212.94242 136.7
[M-H]- 172.97198 132.9
[M+Na-2H]- 194.95393 135.2
[M]+ 173.97871 131.7
[M]- 173.97981 131.7
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.