CID 172866248

68tnb87d2z

Structural Information

Molecular Formula
C15H20N2
SMILES
C[C@]12CC[C@@H](C1(C)C)C3=CC(=NN=C23)C4CC4
InChI
InChI=1S/C15H20N2/c1-14(2)11-6-7-15(14,3)13-10(11)8-12(16-17-13)9-4-5-9/h8-9,11H,4-7H2,1-3H3/t11-,15-/m1/s1
InChIKey
BSFLCKBWXRSZEJ-IAQYHMDHSA-N
Compound name
(1S,8S)-5-cyclopropyl-1,11,11-trimethyl-3,4-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 159.5
[M+Na]+ 251.15186 171.7
[M-H]- 227.15536 165.0
[M+NH4]+ 246.19646 180.3
[M+K]+ 267.12580 166.8
[M+H-H2O]+ 211.15990 153.4
[M+HCOO]- 273.16084 176.6
[M+CH3COO]- 287.17649 171.9
[M+Na-2H]- 249.13731 163.1
[M]+ 228.16209 163.3
[M]- 228.16319 163.3
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.