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]+ 181.144776 137.7
[M+Na]+ 203.126718 143.4
[M-H]- 179.130224 138.7
[M+NH4]+ 198.171323 154.8
[M+K]+ 219.100658 144.2
[M+H-H2O]+ 163.134760 128.2
[M+HCOO]- 225.135701 156.0
[M+CH3COO]- 239.151351 148.8
[M+Na-2H]- 201.112166 142.8
[M]+ 180.13695142 131.6
[M]- 180.13804858 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.