CID 3056029

Brn 0911072

Structural Information

Molecular Formula
C11H14N2
SMILES
C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C4=C3NN=C4
InChI
InChI=1S/C11H14N2/c1-2-6-7(3-1)9-4-8(6)10-5-12-13-11(9)10/h5-9H,1-4H2,(H,12,13)/t6-,7+,8-,9+/m0/s1
InChIKey
GQIIHFMDBPYPSF-UYXSQOIJSA-N
Compound name
(1R,7S,8S,12R)-3,4-diazatetracyclo[5.5.1.02,6.08,12]trideca-2(6),4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.11569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 141.7
[M+Na]+ 197.104908 150.5
[M-H]- 173.108414 143.7
[M+NH4]+ 192.149513 169.1
[M+K]+ 213.078848 147.2
[M+H-H2O]+ 157.112950 137.1
[M+HCOO]- 219.113891 159.7
[M+CH3COO]- 233.129541 154.6
[M+Na-2H]- 195.090356 141.9
[M]+ 174.11514142 139.9
[M]- 174.11623858 139.9
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.