CID 3060512

Brn 4434054

Structural Information

Molecular Formula
C9H9N3O
SMILES
C1CC2=NN=C(N2C1)C3=CC=CO3
InChI
InChI=1S/C9H9N3O/c1-4-8-10-11-9(12(8)5-1)7-3-2-6-13-7/h2-3,6H,1,4-5H2
InChIKey
DPRQYVRKLNHWRN-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 132.4
[M+Na]+ 198.063768 143.2
[M-H]- 174.067274 138.0
[M+NH4]+ 193.108373 153.6
[M+K]+ 214.037708 142.5
[M+H-H2O]+ 158.071810 125.3
[M+HCOO]- 220.072751 156.1
[M+CH3COO]- 234.088401 147.3
[M+Na-2H]- 196.049216 137.2
[M]+ 175.07400142 135.2
[M]- 175.07509858 135.2
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.