CID 82018850

3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1(CC2(CCNC2)CO1)C
InChI
InChI=1S/C9H17NO/c1-8(2)5-9(7-11-8)3-4-10-6-9/h10H,3-7H2,1-2H3
InChIKey
VLVLCKNPSNJGDP-UHFFFAOYSA-N
Compound name
3,3-dimethyl-2-oxa-7-azaspiro[4.4]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 134.7
[M+Na]+ 178.12023 141.4
[M-H]- 154.12373 138.0
[M+NH4]+ 173.16483 159.9
[M+K]+ 194.09417 140.6
[M+H-H2O]+ 138.12827 130.2
[M+HCOO]- 200.12921 152.9
[M+CH3COO]- 214.14486 147.8
[M+Na-2H]- 176.10568 139.5
[M]+ 155.13046 129.9
[M]- 155.13156 129.9
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.