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

30
Patents

167.1171 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.124376 139.1
[M+Na]+ 190.106318 146.2
[M-H]- 166.109824 137.1
[M+NH4]+ 185.150923 153.4
[M+K]+ 206.080258 143.2
[M+H-H2O]+ 150.114360 128.9
[M+HCOO]- 212.115301 153.9
[M+CH3COO]- 226.130951 149.5
[M+Na-2H]- 188.091766 143.3
[M]+ 167.11655142 133.2
[M]- 167.11764858 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