CID 557119

1-(3-bromopropyl)pyrrole

Structural Information

Molecular Formula
C7H10BrN
SMILES
C1=CN(C=C1)CCCBr
InChI
InChI=1S/C7H10BrN/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3-4,7H2
InChIKey
IXIXPLRTYIMRMC-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

186.99966 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.00694 133.7
[M+Na]+ 209.98888 145.5
[M-H]- 185.99238 138.7
[M+NH4]+ 205.03348 157.6
[M+K]+ 225.96282 135.4
[M+H-H2O]+ 169.99692 133.8
[M+HCOO]- 231.99786 156.0
[M+CH3COO]- 246.01351 179.1
[M+Na-2H]- 207.97433 141.6
[M]+ 186.99911 152.7
[M]- 187.00021 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe