CID 20522198

4-azaspiro[2.4]heptane hydrochloride

Structural Information

Molecular Formula
C6H11N
SMILES
C1CC2(CC2)NC1
InChI
InChI=1S/C6H11N/c1-2-6(3-4-6)7-5-1/h7H,1-5H2
InChIKey
JDDQECMBPWVIRU-UHFFFAOYSA-N
Compound name
4-azaspiro[2.4]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

150
Patents

97.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 124.0
[M+Na]+ 120.07837 135.5
[M+NH4]+ 115.12297 135.4
[M+K]+ 136.05231 130.7
[M-H]- 96.081874 132.6
[M+Na-2H]- 118.06382 133.2
[M]+ 97.088601 129.1
[M]- 97.089699 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe