CID 155937654

2243515-58-2

Structural Information

Molecular Formula
C8H15NO2
SMILES
C1CC2(C1)COCC(O2)CN
InChI
InChI=1S/C8H15NO2/c9-4-7-5-10-6-8(11-7)2-1-3-8/h7H,1-6,9H2
InChIKey
VOUFPXXKTUTDQD-UHFFFAOYSA-N
Compound name
5,8-dioxaspiro[3.5]nonan-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 127.3
[M+Na]+ 180.099498 131.0
[M-H]- 156.103004 133.1
[M+NH4]+ 175.144103 140.6
[M+K]+ 196.073438 135.7
[M+H-H2O]+ 140.107540 117.2
[M+HCOO]- 202.108481 145.1
[M+CH3COO]- 216.124131 179.3
[M+Na-2H]- 178.084946 135.8
[M]+ 157.10973142 131.8
[M]- 157.11082858 131.8
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.