CID 4660557

Bromantane

Structural Information

Molecular Formula
C16H20BrN
SMILES
C1C2CC3CC1CC(C2)C3NC4=CC=C(C=C4)Br
InChI
InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2
InChIKey
LWJALJDRFBXHKX-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)adamantan-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

57
References

674
Patents

305.0779 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.08518 164.9
[M+Na]+ 328.06712 169.1
[M-H]- 304.07062 165.9
[M+NH4]+ 323.11172 187.6
[M+K]+ 344.04106 158.2
[M+H-H2O]+ 288.07516 163.6
[M+HCOO]- 350.07610 171.8
[M+CH3COO]- 364.09175 174.4
[M+Na-2H]- 326.05257 174.7
[M]+ 305.07735 180.3
[M]- 305.07845 180.3
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

patents stripe