CID 84649711

1780654-45-6

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1CC2=C(N=NN2C1)C(=O)O
InChI
InChI=1S/C6H7N3O2/c10-6(11)5-4-2-1-3-9(4)8-7-5/h1-3H2,(H,10,11)
InChIKey
JLRYJJOTKRCJGI-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[1,2-c]triazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.05383 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.8
[M+Na]+ 176.04305 139.0
[M-H]- 152.04655 129.6
[M+NH4]+ 171.08765 150.6
[M+K]+ 192.01699 137.9
[M+H-H2O]+ 136.05109 123.0
[M+HCOO]- 198.05203 149.5
[M+CH3COO]- 212.06768 171.4
[M+Na-2H]- 174.02850 133.9
[M]+ 153.05328 129.2
[M]- 153.05438 129.2
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.