CID 55286572

1955557-03-5

Structural Information

Molecular Formula
C7H11N3
SMILES
C1CC2=C(CNC1)C=NN2
InChI
InChI=1S/C7H11N3/c1-2-7-6(4-8-3-1)5-9-10-7/h5,8H,1-4H2,(H,9,10)
InChIKey
AIUMEPRKJIXLOS-UHFFFAOYSA-N
Compound name
1,4,5,6,7,8-hexahydropyrazolo[4,3-c]azepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

137.09529 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 126.3
[M+Na]+ 160.08451 131.9
[M-H]- 136.08801 125.1
[M+NH4]+ 155.12911 143.9
[M+K]+ 176.05845 131.7
[M+H-H2O]+ 120.09255 118.0
[M+HCOO]- 182.09349 142.0
[M+CH3COO]- 196.10914 137.3
[M+Na-2H]- 158.06996 132.6
[M]+ 137.09474 117.3
[M]- 137.09584 117.3
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

patents stripe