CID 81722929

1518654-15-3

Structural Information

Molecular Formula
C11H17NO2
SMILES
C#CCCN1CCCC2(C1)OCCO2
InChI
InChI=1S/C11H17NO2/c1-2-3-6-12-7-4-5-11(10-12)13-8-9-14-11/h1H,3-10H2
InChIKey
FDWLIGDAAZATRQ-UHFFFAOYSA-N
Compound name
9-but-3-ynyl-1,4-dioxa-9-azaspiro[4.5]decane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 137.2
[M+Na]+ 218.115148 145.5
[M-H]- 194.118654 139.5
[M+NH4]+ 213.159753 154.1
[M+K]+ 234.089088 142.3
[M+H-H2O]+ 178.123190 124.6
[M+HCOO]- 240.124131 148.6
[M+CH3COO]- 254.139781 147.9
[M+Na-2H]- 216.100596 142.3
[M]+ 195.12538142 129.0
[M]- 195.12647858 129.0
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

No patent data available for this compound.