CID 3043048

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

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]+ 142.072336 127.6
[M+Na]+ 164.054278 135.2
[M-H]- 140.057784 124.9
[M+NH4]+ 159.098883 141.1
[M+K]+ 180.028218 136.9
[M+H-H2O]+ 124.062320 117.9
[M+HCOO]- 186.063261 144.3
[M+CH3COO]- 200.078911 173.0
[M+Na-2H]- 162.039726 133.8
[M]+ 141.06451142 119.5
[M]- 141.06560858 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.