CID 55263051

1,4-dioxaspiro[4.4]nonan-2-ylmethanamine

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CCC2(C1)OCC(O2)CN
InChI
InChI=1S/C8H15NO2/c9-5-7-6-10-8(11-7)3-1-2-4-8/h7H,1-6,9H2
InChIKey
ZOLMPZZVRYBREN-UHFFFAOYSA-N
Compound name
1,4-dioxaspiro[4.4]nonan-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.11028 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 133.0
[M+Na]+ 180.099498 138.6
[M-H]- 156.103004 138.8
[M+NH4]+ 175.144103 156.1
[M+K]+ 196.073438 139.6
[M+H-H2O]+ 140.107540 128.8
[M+HCOO]- 202.108481 153.8
[M+CH3COO]- 216.124131 174.0
[M+Na-2H]- 178.084946 138.4
[M]+ 157.10973142 129.1
[M]- 157.11082858 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

No literature data available for this compound.

Patent stripe

patents stripe