CID 20234081

1-(4-methyl-4h-1,2,4-triazol-3-yl)piperazine

Structural Information

Molecular Formula
C7H13N5
SMILES
CN1C=NN=C1N2CCNCC2
InChI
InChI=1S/C7H13N5/c1-11-6-9-10-7(11)12-4-2-8-3-5-12/h6,8H,2-5H2,1H3
InChIKey
OEQQSRKLXHARQU-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,2,4-triazol-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

167.1171 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.12438 139.1
[M+Na]+ 190.10632 146.2
[M-H]- 166.10982 137.1
[M+NH4]+ 185.15092 153.4
[M+K]+ 206.08026 143.2
[M+H-H2O]+ 150.11436 128.9
[M+HCOO]- 212.11530 153.9
[M+CH3COO]- 226.13095 149.5
[M+Na-2H]- 188.09177 143.3
[M]+ 167.11655 133.2
[M]- 167.11765 133.2
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

patents stripe