CID 16370764

923255-73-6

Structural Information

Molecular Formula
C9H16N4
SMILES
C1CCC2=NN=C(N2CC1)CCN
InChI
InChI=1S/C9H16N4/c10-6-5-9-12-11-8-4-2-1-3-7-13(8)9/h1-7,10H2
InChIKey
DDBDAGJRFYTMCK-UHFFFAOYSA-N
Compound name
2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 137.7
[M+Na]+ 203.12672 143.4
[M-H]- 179.13022 138.7
[M+NH4]+ 198.17132 154.8
[M+K]+ 219.10066 144.2
[M+H-H2O]+ 163.13476 128.2
[M+HCOO]- 225.13570 156.0
[M+CH3COO]- 239.15135 148.8
[M+Na-2H]- 201.11217 142.8
[M]+ 180.13695 131.6
[M]- 180.13805 131.6
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.