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]+ 153.113476 129.0
[M+Na]+ 175.095418 135.6
[M-H]- 151.098924 130.4
[M+NH4]+ 170.140023 147.2
[M+K]+ 191.069358 136.9
[M+H-H2O]+ 135.103460 120.0
[M+HCOO]- 197.104401 148.0
[M+CH3COO]- 211.120051 141.0
[M+Na-2H]- 173.080866 135.2
[M]+ 152.10565142 122.4
[M]- 152.10674858 122.4
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

No patent data available for this compound.