CID 17762979

88837-15-4

Structural Information

Molecular Formula
C8H16BrN
SMILES
C1CCCN(CC1)CCBr
InChI
InChI=1S/C8H16BrN/c9-5-8-10-6-3-1-2-4-7-10/h1-8H2
InChIKey
KQKDKTPZKCBWGD-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

205.04662 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.05390 134.4
[M+Na]+ 228.03584 140.7
[M-H]- 204.03934 139.1
[M+NH4]+ 223.08044 154.0
[M+K]+ 244.00978 134.9
[M+H-H2O]+ 188.04388 134.1
[M+HCOO]- 250.04482 150.9
[M+CH3COO]- 264.06047 184.7
[M+Na-2H]- 226.02129 141.0
[M]+ 205.04607 145.2
[M]- 205.04717 145.2
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