CID 51072271

6,7-dihydro-5h-pyrrolo[2,1-c][1,2,4]triazole

Structural Information

Molecular Formula
C5H7N3
SMILES
C1CC2=NN=CN2C1
InChI
InChI=1S/C5H7N3/c1-2-5-7-6-4-8(5)3-1/h4H,1-3H2
InChIKey
BRXYDRIZVHRXCQ-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

109.063995 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.071271 119.2
[M+Na]+ 132.053213 128.6
[M-H]- 108.056719 119.8
[M+NH4]+ 127.097818 142.4
[M+K]+ 148.027153 127.8
[M+H-H2O]+ 92.061255 111.8
[M+HCOO]- 154.062196 141.1
[M+CH3COO]- 168.077846 133.5
[M+Na-2H]- 130.038661 126.0
[M]+ 109.06344642 118.1
[M]- 109.06454358 118.1
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

patents stripe