CID 165746530

En300-37443102

Structural Information

Molecular Formula
C7H14BrNO
SMILES
C[C@@]1(CCNC[C@@H]1Br)OC
InChI
InChI=1S/C7H14BrNO/c1-7(10-2)3-4-9-5-6(7)8/h6,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey
VMIHRPPYULBVTB-BQBZGAKWSA-N
Compound name
(3S,4S)-3-bromo-4-methoxy-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.02588 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03316 137.5
[M+Na]+ 230.01510 147.3
[M-H]- 206.01860 140.9
[M+NH4]+ 225.05970 160.1
[M+K]+ 245.98904 137.2
[M+H-H2O]+ 190.02314 138.6
[M+HCOO]- 252.02408 153.7
[M+CH3COO]- 266.03973 179.8
[M+Na-2H]- 228.00055 144.8
[M]+ 207.02533 152.2
[M]- 207.02643 152.2
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

No patent data available for this compound.