CID 50431

Brn 5515855

Structural Information

Molecular Formula
C12H18N2
SMILES
C1CCC(C2=CC=CC=C2C1)(CN)N
InChI
InChI=1S/C12H18N2/c13-9-12(14)8-4-3-6-10-5-1-2-7-11(10)12/h1-2,5,7H,3-4,6,8-9,13-14H2
InChIKey
QCKMDKHNNCHWHT-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.147 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.15428 139.2
[M+Na]+ 213.13622 148.0
[M+NH4]+ 208.18082 149.2
[M+K]+ 229.11016 141.3
[M-H]- 189.13972 142.9
[M+Na-2H]- 211.12167 146.5
[M]+ 190.14645 141.5
[M]- 190.14755 141.5
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.