CID 3043048

6h-1,2,4,5-tetrazepin-6-one, 3-amino-2,5-dihydro-7-methyl-, monohydrochloride

Structural Information

Molecular Formula
C4H7N5O
SMILES
CC1=NN=C(NNC1=O)N
InChI
InChI=1S/C4H7N5O/c1-2-3(10)7-9-4(5)8-6-2/h1H3,(H,7,10)(H3,5,8,9)
InChIKey
CYWJQCNJZJTGNF-UHFFFAOYSA-N
Compound name
3-amino-6-methyl-1,2-dihydro-1,2,4,5-tetrazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.06506 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07234 127.6
[M+Na]+ 164.05428 135.2
[M-H]- 140.05778 124.9
[M+NH4]+ 159.09888 141.1
[M+K]+ 180.02822 136.9
[M+H-H2O]+ 124.06232 117.9
[M+HCOO]- 186.06326 144.3
[M+CH3COO]- 200.07891 173.0
[M+Na-2H]- 162.03973 133.8
[M]+ 141.06451 119.5
[M]- 141.06561 119.5
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.