CID 62930063

1-(2-bromoethyl)-4,4-dimethylpiperidinehydrobromide

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]+ 220.06954 142.4
[M+Na]+ 242.05148 152.0
[M-H]- 218.05498 146.9
[M+NH4]+ 237.09608 165.3
[M+K]+ 258.02542 141.9
[M+H-H2O]+ 202.05952 143.2
[M+HCOO]- 264.06046 159.3
[M+CH3COO]- 278.07611 186.2
[M+Na-2H]- 240.03693 149.2
[M]+ 219.06171 158.2
[M]- 219.06281 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