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

2
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 127.9
[M+Na]+ 196.96848 141.2
[M-H]- 172.97198 133.2
[M+NH4]+ 192.01308 152.1
[M+K]+ 212.94242 130.5
[M+H-H2O]+ 156.97652 127.7
[M+HCOO]- 218.97746 151.0
[M+CH3COO]- 232.99311 179.2
[M+Na-2H]- 194.95393 134.8
[M]+ 173.97871 145.1
[M]- 173.97981 145.1
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