CID 129981476

5h,6h,7h,8h,9h-[1,2,4]triazolo[4,3-a]azepin-7-amine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
C1CC2=NN=CN2CCC1N
InChI
InChI=1S/C7H12N4/c8-6-1-2-7-10-9-5-11(7)4-3-6/h5-6H,1-4,8H2
InChIKey
NMHSRADHFBXGAG-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 129.3
[M+Na]+ 175.09542 137.8
[M+NH4]+ 170.14002 136.6
[M+K]+ 191.06936 135.9
[M-H]- 151.09892 129.7
[M+Na-2H]- 173.08087 134.0
[M]+ 152.10565 130.3
[M]- 152.10675 130.3
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.