CID 62930063

2913267-40-8

Structural Information

Molecular Formula
C9H18BrN
SMILES
CC1(CCN(CC1)CCBr)C
InChI
InChI=1S/C9H18BrN/c1-9(2)3-6-11(7-4-9)8-5-10/h3-8H2,1-2H3
InChIKey
FVZWWIRKBLJTHP-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4,4-dimethylpiperidine
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 142.4
[M+Na]+ 242.051478 152.0
[M-H]- 218.054984 146.9
[M+NH4]+ 237.096083 165.3
[M+K]+ 258.025418 141.9
[M+H-H2O]+ 202.059520 143.2
[M+HCOO]- 264.060461 159.3
[M+CH3COO]- 278.076111 186.2
[M+Na-2H]- 240.036926 149.2
[M]+ 219.06171142 158.2
[M]- 219.06280858 158.2
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