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]+ 175.12297 137.9
[M+Na]+ 197.10491 146.3
[M+NH4]+ 192.14951 148.3
[M+K]+ 213.07885 147.6
[M-H]- 173.10841 137.9
[M+Na-2H]- 195.09036 137.7
[M]+ 174.11514 138.8
[M]- 174.11624 138.8
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.