CID 54592592

1-[(5-ethyl-4-methyl-4h-1,2,4-triazol-3-yl)methyl]piperazine

Structural Information

Molecular Formula
C10H19N5
SMILES
CCC1=NN=C(N1C)CN2CCNCC2
InChI
InChI=1S/C10H19N5/c1-3-9-12-13-10(14(9)2)8-15-6-4-11-5-7-15/h11H,3-8H2,1-2H3
InChIKey
OSYUNOXLMUDBNA-UHFFFAOYSA-N
Compound name
1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.16405 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.17133 152.6
[M+Na]+ 232.15327 159.4
[M-H]- 208.15677 150.6
[M+NH4]+ 227.19787 165.6
[M+K]+ 248.12721 155.6
[M+H-H2O]+ 192.16131 142.3
[M+HCOO]- 254.16225 166.4
[M+CH3COO]- 268.17790 162.2
[M+Na-2H]- 230.13872 154.5
[M]+ 209.16350 148.2
[M]- 209.16460 148.2
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

No patent data available for this compound.