CID 17541515

3-{5h,6h,7h-pyrrolo[2,1-c][1,2,4]triazol-3-yl}aniline

Structural Information

Molecular Formula
C11H12N4
SMILES
C1CC2=NN=C(N2C1)C3=CC(=CC=C3)N
InChI
InChI=1S/C11H12N4/c12-9-4-1-3-8(7-9)11-14-13-10-5-2-6-15(10)11/h1,3-4,7H,2,5-6,12H2
InChIKey
GJIRFKWMLBFRHV-UHFFFAOYSA-N
Compound name
3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.2
[M+Na]+ 223.09542 151.4
[M-H]- 199.09892 146.1
[M+NH4]+ 218.14002 161.4
[M+K]+ 239.06936 147.5
[M+H-H2O]+ 183.10346 133.6
[M+HCOO]- 245.10440 164.2
[M+CH3COO]- 259.12005 155.0
[M+Na-2H]- 221.08087 146.4
[M]+ 200.10565 140.1
[M]- 200.10675 140.1
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.