CID 6400719

2,4-dihydro-3-imino-6-methyl-3h-1,2,4,5-tetrazepine hydrochloride

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]+ 126.07742 122.1
[M+Na]+ 148.05936 130.1
[M-H]- 124.06287 120.6
[M+NH4]+ 143.10397 136.8
[M+K]+ 164.03330 132.3
[M+H-H2O]+ 108.06740 112.3
[M+HCOO]- 170.06835 141.2
[M+CH3COO]- 184.08400 134.0
[M+Na-2H]- 146.04481 130.7
[M]+ 125.06960 116.1
[M]- 125.07069 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.