CID 3477051

1-(1-methyl-1h-1,2,3,4-tetrazol-5-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C6H12N6
SMILES
CN1C(=NN=N1)N2CCNCC2
InChI
InChI=1S/C6H12N6/c1-11-6(8-9-10-11)12-4-2-7-3-5-12/h7H,2-5H2,1H3
InChIKey
SQJDMBCPQVISRB-UHFFFAOYSA-N
Compound name
1-(1-methyltetrazol-5-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

168.11235 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.119626 139.9
[M+Na]+ 191.101568 147.5
[M-H]- 167.105074 136.8
[M+NH4]+ 186.146173 152.8
[M+K]+ 207.075508 144.5
[M+H-H2O]+ 151.109610 129.2
[M+HCOO]- 213.110551 153.6
[M+CH3COO]- 227.126201 150.0
[M+Na-2H]- 189.087016 144.4
[M]+ 168.11180142 134.3
[M]- 168.11289858 134.3
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