CID 24845730

102280-97-7

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CC2=C3C(=CC(=C2)N)CCN3C1
InChI
InChI=1S/C11H14N2/c12-10-6-8-2-1-4-13-5-3-9(7-10)11(8)13/h6-7H,1-5,12H2
InChIKey
HXLIXTQXRDVYHV-UHFFFAOYSA-N
Compound name
1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.12297 136.4
[M+Na]+ 197.10491 143.7
[M-H]- 173.10841 139.0
[M+NH4]+ 192.14951 159.1
[M+K]+ 213.07885 140.0
[M+H-H2O]+ 157.11295 130.0
[M+HCOO]- 219.11389 155.7
[M+CH3COO]- 233.12954 149.1
[M+Na-2H]- 195.09036 142.6
[M]+ 174.11514 132.5
[M]- 174.11624 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.