CID 1108279

98175-84-9

Structural Information

Molecular Formula
C11H12N4
SMILES
C1CNCC2=C1N(N=N2)C3=CC=CC=C3
InChI
InChI=1S/C11H12N4/c1-2-4-9(5-3-1)15-11-6-7-12-8-10(11)13-14-15/h1-5,12H,6-8H2
InChIKey
YNYQXVGPQRXGCM-UHFFFAOYSA-N
Compound name
1-phenyl-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

200.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.113476 144.3
[M+Na]+ 223.095418 152.1
[M-H]- 199.098924 144.7
[M+NH4]+ 218.140023 159.6
[M+K]+ 239.069358 147.1
[M+H-H2O]+ 183.103460 134.4
[M+HCOO]- 245.104401 160.5
[M+CH3COO]- 259.120051 155.2
[M+Na-2H]- 221.080866 150.7
[M]+ 200.10565142 139.6
[M]- 200.10674858 139.6
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

patents stripe