CID 54595944

1-azaspiro[3.3]heptane hydrochloride

Structural Information

Molecular Formula
C6H11N
SMILES
C1CC2(C1)CCN2
InChI
InChI=1S/C6H11N/c1-2-6(3-1)4-5-7-6/h7H,1-5H2
InChIKey
YKNUXXRRPRLOBW-UHFFFAOYSA-N
Compound name
1-azaspiro[3.3]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

190
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 122.0
[M+Na]+ 120.07837 123.6
[M+NH4]+ 115.12297 124.6
[M+K]+ 136.05231 120.6
[M-H]- 96.081874 118.6
[M+Na-2H]- 118.06382 124.3
[M]+ 97.088601 119.1
[M]- 97.089699 119.1
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