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 141.0
[M+Na]+ 213.13622 145.4
[M-H]- 189.13972 145.4
[M+NH4]+ 208.18082 161.3
[M+K]+ 229.11016 146.1
[M+H-H2O]+ 173.14426 135.8
[M+HCOO]- 235.14520 161.7
[M+CH3COO]- 249.16085 152.6
[M+Na-2H]- 211.12167 147.4
[M]+ 190.14645 132.5
[M]- 190.14755 132.5
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.