CID 3077812

Brn 5344623

Structural Information

Molecular Formula
C16H17BrN2
SMILES
C1CCC2(CC1)CC3=CC=CC=C3C(=N)C2(C#N)Br
InChI
InChI=1S/C16H17BrN2/c17-16(11-18)14(19)13-7-3-2-6-12(13)10-15(16)8-4-1-5-9-15/h2-3,6-7,19H,1,4-5,8-10H2
InChIKey
OFHHCHHOQPGGML-UHFFFAOYSA-N
Compound name
2-bromo-1-iminospiro[4H-naphthalene-3,1'-cyclohexane]-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0575 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06478 168.6
[M+Na]+ 339.04672 171.5
[M+NH4]+ 334.09132 173.9
[M+K]+ 355.02066 163.5
[M-H]- 315.05022 165.3
[M+Na-2H]- 337.03217 171.2
[M]+ 316.05695 166.7
[M]- 316.05805 166.7
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.