CID 56828153

(4-bromo-1h-pyrrol-2-yl)methanamine

Structural Information

Molecular Formula
C5H7BrN2
SMILES
C1=C(NC=C1Br)CN
InChI
InChI=1S/C5H7BrN2/c6-4-1-5(2-7)8-3-4/h1,3,8H,2,7H2
InChIKey
NGPSXQJWPGUSRK-UHFFFAOYSA-N
Compound name
(4-bromo-1H-pyrrol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.97926 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.98654 134.0
[M+Na]+ 196.96848 135.4
[M+NH4]+ 192.01308 138.7
[M+K]+ 212.94242 137.2
[M-H]- 172.97198 133.7
[M+Na-2H]- 194.95393 136.1
[M]+ 173.97871 132.6
[M]- 173.97981 132.6
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