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

62
Patents

200.1062 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.11348 144.3
[M+Na]+ 223.09542 152.1
[M-H]- 199.09892 144.7
[M+NH4]+ 218.14002 159.6
[M+K]+ 239.06936 147.1
[M+H-H2O]+ 183.10346 134.4
[M+HCOO]- 245.10440 160.5
[M+CH3COO]- 259.12005 155.2
[M+Na-2H]- 221.08087 150.7
[M]+ 200.10565 139.6
[M]- 200.10675 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