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

4
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 129.2
[M+Na]+ 196.96848 141.1
[M-H]- 172.97198 132.8
[M+NH4]+ 192.01308 152.3
[M+K]+ 212.94242 129.6
[M+H-H2O]+ 156.97652 128.8
[M+HCOO]- 218.97746 150.8
[M+CH3COO]- 232.99311 175.7
[M+Na-2H]- 194.95393 136.1
[M]+ 173.97871 144.2
[M]- 173.97981 144.2
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