CID 167739602

N-methyl-2-oxaspiro[3.5]nonan-7-amine

Structural Information

Molecular Formula
C9H17NO
SMILES
CNC1CCC2(CC1)COC2
InChI
InChI=1S/C9H17NO/c1-10-8-2-4-9(5-3-8)6-11-7-9/h8,10H,2-7H2,1H3
InChIKey
TUKJXBVHICRSIM-UHFFFAOYSA-N
Compound name
N-methyl-2-oxaspiro[3.5]nonan-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 129.1
[M+Na]+ 178.120228 132.6
[M-H]- 154.123734 134.7
[M+NH4]+ 173.164833 144.2
[M+K]+ 194.094168 135.9
[M+H-H2O]+ 138.128270 119.0
[M+HCOO]- 200.129211 148.0
[M+CH3COO]- 214.144861 180.7
[M+Na-2H]- 176.105676 137.2
[M]+ 155.13046142 133.0
[M]- 155.13155858 133.0
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