CID 6400719

Dtxsid60189507

Structural Information

Molecular Formula
C4H7N5
SMILES
CC1=NN=C(NN=C1)N
InChI
InChI=1S/C4H7N5/c1-3-2-6-8-4(5)9-7-3/h2H,1H3,(H3,5,8,9)
InChIKey
HWIXKNZDRRUADT-UHFFFAOYSA-N
Compound name
6-methyl-2H-1,2,4,5-tetrazepin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.070145 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.077421 122.1
[M+Na]+ 148.059363 130.1
[M-H]- 124.062869 120.6
[M+NH4]+ 143.103968 136.8
[M+K]+ 164.033303 132.3
[M+H-H2O]+ 108.067405 112.3
[M+HCOO]- 170.068346 141.2
[M+CH3COO]- 184.083996 134.0
[M+Na-2H]- 146.044811 130.7
[M]+ 125.06959642 116.1
[M]- 125.07069358 116.1
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.