CID 137078

3,6-dimethyl-1,2,4,5-tetrazine

Structural Information

Molecular Formula
C4H6N4
SMILES
CC1=NN=C(N=N1)C
InChI
InChI=1S/C4H6N4/c1-3-5-7-4(2)8-6-3/h1-2H3
InChIKey
DGLYTMLIGRQDPE-UHFFFAOYSA-N
Compound name
3,6-dimethyl-1,2,4,5-tetrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

549
Patents

110.05925 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.06653 120.3
[M+Na]+ 133.04847 131.1
[M-H]- 109.05197 119.0
[M+NH4]+ 128.09307 138.1
[M+K]+ 149.02241 129.7
[M+H-H2O]+ 93.056510 112.4
[M+HCOO]- 155.05745 141.1
[M+CH3COO]- 169.07310 168.8
[M+Na-2H]- 131.03392 130.6
[M]+ 110.05870 120.8
[M]- 110.05980 120.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe