CID 43436647

8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol

Structural Information

Molecular Formula
C9H17NO3
SMILES
C1CC2(CCC1(CN)O)OCCO2
InChI
InChI=1S/C9H17NO3/c10-7-8(11)1-3-9(4-2-8)12-5-6-13-9/h11H,1-7,10H2
InChIKey
LXJYSQGCJGEDBZ-UHFFFAOYSA-N
Compound name
8-(aminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

187.12085 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 139.8
[M+Na]+ 210.11007 144.7
[M-H]- 186.11357 144.1
[M+NH4]+ 205.15467 161.1
[M+K]+ 226.08401 145.3
[M+H-H2O]+ 170.11811 135.4
[M+HCOO]- 232.11905 156.8
[M+CH3COO]- 246.13470 176.4
[M+Na-2H]- 208.09552 146.8
[M]+ 187.12030 134.2
[M]- 187.12140 134.2
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