CID 364588

Nsc631078

Structural Information

Molecular Formula
C17H20BrN
SMILES
C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)Br
InChI
InChI=1S/C17H20BrN/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,11,13-15H,5-10H2
InChIKey
VZOLYHHSYZOVNN-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-1-(4-bromophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0779 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.08518 167.4
[M+Na]+ 340.06712 172.2
[M-H]- 316.07062 169.4
[M+NH4]+ 335.11172 191.9
[M+K]+ 356.04106 161.1
[M+H-H2O]+ 300.07516 165.1
[M+HCOO]- 362.07610 175.5
[M+CH3COO]- 376.09175 177.2
[M+Na-2H]- 338.05257 178.2
[M]+ 317.07735 184.0
[M]- 317.07845 184.0
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.