CID 3010118

N-bromoadamantan-1-amine

Structural Information

Molecular Formula
C10H16BrN
SMILES
C1C2CC3CC1CC(C2)(C3)NBr
InChI
InChI=1S/C10H16BrN/c11-12-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,12H,1-6H2
InChIKey
MOWNHFGKHACURN-UHFFFAOYSA-N
Compound name
N-bromoadamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

229.04662 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05390 146.6
[M+Na]+ 252.03584 152.0
[M-H]- 228.03934 145.1
[M+NH4]+ 247.08044 174.1
[M+K]+ 268.00978 141.9
[M+H-H2O]+ 212.04388 146.7
[M+HCOO]- 274.04482 154.1
[M+CH3COO]- 288.06047 157.5
[M+Na-2H]- 250.02129 159.3
[M]+ 229.04607 162.4
[M]- 229.04717 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.