CID 25248699

1018170-67-6

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]+ 153.113476 132.6
[M+Na]+ 175.095418 139.5
[M-H]- 151.098924 132.3
[M+NH4]+ 170.140023 150.6
[M+K]+ 191.069358 137.6
[M+H-H2O]+ 135.103460 123.2
[M+HCOO]- 197.104401 151.1
[M+CH3COO]- 211.120051 144.4
[M+Na-2H]- 173.080866 136.1
[M]+ 152.10565142 128.2
[M]- 152.10674858 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.