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

6
Patents

170.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 135.2
[M+Na]+ 193.13112 138.6
[M-H]- 169.13462 138.6
[M+NH4]+ 188.17572 148.0
[M+K]+ 209.10506 141.5
[M+H-H2O]+ 153.13916 123.7
[M+HCOO]- 215.14010 152.1
[M+CH3COO]- 229.15575 182.6
[M+Na-2H]- 191.11657 141.9
[M]+ 170.14135 138.5
[M]- 170.14245 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