CID 3023732

Ns00066219

Structural Information

Molecular Formula
C9H18BrN
SMILES
CC1CCC(N1CCCBr)C
InChI
InChI=1S/C9H18BrN/c1-8-4-5-9(2)11(8)7-3-6-10/h8-9H,3-7H2,1-2H3
InChIKey
ORHLQGXHGDUTKI-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-2,5-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.06226 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.069536 146.8
[M+Na]+ 242.051478 157.5
[M-H]- 218.054984 151.4
[M+NH4]+ 237.096083 169.8
[M+K]+ 258.025418 147.1
[M+H-H2O]+ 202.059520 146.7
[M+HCOO]- 264.060461 165.6
[M+CH3COO]- 278.076111 187.4
[M+Na-2H]- 240.036926 150.3
[M]+ 219.06171142 164.3
[M]- 219.06280858 164.3
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