CID 86775258

1781610-84-1

Structural Information

Molecular Formula
C6H10N4
SMILES
C1CNCC2=CN=NN2C1
InChI
InChI=1S/C6H10N4/c1-2-7-4-6-5-8-9-10(6)3-1/h5,7H,1-4H2
InChIKey
LLFGXZAZFFCZBM-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydro-4H-triazolo[1,5-a][1,4]diazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

138.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.097826 125.4
[M+Na]+ 161.079768 132.1
[M-H]- 137.083274 124.3
[M+NH4]+ 156.124373 142.4
[M+K]+ 177.053708 132.7
[M+H-H2O]+ 121.087810 115.6
[M+HCOO]- 183.088751 141.5
[M+CH3COO]- 197.104401 136.8
[M+Na-2H]- 159.065216 132.6
[M]+ 138.09000142 118.4
[M]- 138.09109858 118.4
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

patents stripe