CID 130712122

2-{8-oxa-5-azaspiro[3.5]nonan-5-yl}ethan-1-amine

Structural Information

Molecular Formula
C9H18N2O
SMILES
C1CC2(C1)COCCN2CCN
InChI
InChI=1S/C9H18N2O/c10-4-5-11-6-7-12-8-9(11)2-1-3-9/h1-8,10H2
InChIKey
LLHSNJKRMWZJFB-UHFFFAOYSA-N
Compound name
2-(8-oxa-5-azaspiro[3.5]nonan-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.149176 135.2
[M+Na]+ 193.131118 138.6
[M-H]- 169.134624 138.6
[M+NH4]+ 188.175723 148.0
[M+K]+ 209.105058 141.5
[M+H-H2O]+ 153.139160 123.7
[M+HCOO]- 215.140101 152.1
[M+CH3COO]- 229.155751 182.6
[M+Na-2H]- 191.116566 141.9
[M]+ 170.14135142 138.5
[M]- 170.14244858 138.5
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