CID 25248699

1-(pyrrolidin-2-ylmethyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CC(NC1)CN2C=NC=N2
InChI
InChI=1S/C7H12N4/c1-2-7(9-3-1)4-11-6-8-5-10-11/h5-7,9H,1-4H2
InChIKey
AGIXGQFDUZRXCT-UHFFFAOYSA-N
Compound name
1-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 133.2
[M+Na]+ 175.09542 143.2
[M+NH4]+ 170.14002 140.5
[M+K]+ 191.06936 141.5
[M-H]- 151.09892 133.3
[M+Na-2H]- 173.08087 138.8
[M]+ 152.10565 134.3
[M]- 152.10675 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.