CID 215730

Pyrrolidine, 1-(2-bromoallyl)-

Structural Information

Molecular Formula
C7H12BrN
SMILES
C=C(CN1CCCC1)Br
InChI
InChI=1S/C7H12BrN/c1-7(8)6-9-4-2-3-5-9/h1-6H2
InChIKey
MKXIEWUWYKGNNB-UHFFFAOYSA-N
Compound name
1-(2-bromoprop-2-enyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

189.0153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02258 138.4
[M+Na]+ 212.00452 148.2
[M-H]- 188.00802 142.7
[M+NH4]+ 207.04912 161.8
[M+K]+ 227.97846 138.2
[M+H-H2O]+ 172.01256 138.3
[M+HCOO]- 234.01350 157.0
[M+CH3COO]- 248.02915 179.7
[M+Na-2H]- 209.98997 143.0
[M]+ 189.01475 153.3
[M]- 189.01585 153.3
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