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

185
Patents

109.063995 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 119.2
[M+Na]+ 132.05321 128.6
[M-H]- 108.05672 119.8
[M+NH4]+ 127.09782 142.4
[M+K]+ 148.02715 127.8
[M+H-H2O]+ 92.061255 111.8
[M+HCOO]- 154.06220 141.1
[M+CH3COO]- 168.07785 133.5
[M+Na-2H]- 130.03866 126.0
[M]+ 109.06345 118.1
[M]- 109.06454 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