CID 19005995

1-(pyrrolidin-3-yl)-1h-1,2,4-triazole dihydrochloride

Structural Information

Molecular Formula
C6H10N4
SMILES
C1CNCC1N2C=NC=N2
InChI
InChI=1S/C6H10N4/c1-2-7-3-6(1)10-5-8-4-9-10/h4-7H,1-3H2
InChIKey
ZTTBKRUMCUODGW-UHFFFAOYSA-N
Compound name
1-pyrrolidin-3-yl-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

138.09055 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 128.3
[M+Na]+ 161.07977 135.6
[M-H]- 137.08327 128.1
[M+NH4]+ 156.12437 146.8
[M+K]+ 177.05371 133.9
[M+H-H2O]+ 121.08781 119.0
[M+HCOO]- 183.08875 147.1
[M+CH3COO]- 197.10440 140.4
[M+Na-2H]- 159.06522 132.3
[M]+ 138.09000 123.5
[M]- 138.09110 123.5
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