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]+ 204.149516 148.3
[M+Na]+ 226.131458 155.6
[M-H]- 202.134964 146.3
[M+NH4]+ 221.176063 167.2
[M+K]+ 242.105398 151.2
[M+H-H2O]+ 186.139500 140.6
[M+HCOO]- 248.140441 161.2
[M+CH3COO]- 262.156091 158.8
[M+Na-2H]- 224.116906 152.8
[M]+ 203.14169142 145.0
[M]- 203.14278858 145.0
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.