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

214
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 137.9
[M+Na]+ 209.98888 140.5
[M+NH4]+ 205.03348 143.2
[M+K]+ 225.96282 140.9
[M-H]- 185.99238 137.9
[M+Na-2H]- 207.97433 141.0
[M]+ 186.99911 137.0
[M]- 187.00021 137.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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