CID 73440610

1381486-17-4

Structural Information

Molecular Formula
C12H17N3
SMILES
CC(C)C1=NC=C2C3CCC(N3)CC2=N1
InChI
InChI=1S/C12H17N3/c1-7(2)12-13-6-9-10-4-3-8(14-10)5-11(9)15-12/h6-8,10,14H,3-5H2,1-2H3
InChIKey
KZJGCZHUEZWMEL-UHFFFAOYSA-N
Compound name
5-propan-2-yl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.14224 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.14952 147.6
[M+Na]+ 226.13146 159.2
[M+NH4]+ 221.17606 156.5
[M+K]+ 242.10540 154.3
[M-H]- 202.13496 147.7
[M+Na-2H]- 224.11691 149.9
[M]+ 203.14169 149.1
[M]- 203.14279 149.1
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.