CID 127705316

1864804-63-6

Structural Information

Molecular Formula
C11H17NO
SMILES
CC#CCN1CCOC2(C1)CCC2
InChI
InChI=1S/C11H17NO/c1-2-3-7-12-8-9-13-11(10-12)5-4-6-11/h4-10H2,1H3
InChIKey
OFEDJSMSKHYOMG-UHFFFAOYSA-N
Compound name
8-but-2-ynyl-5-oxa-8-azaspiro[3.5]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 127.7
[M+Na]+ 202.12023 134.7
[M-H]- 178.12373 130.2
[M+NH4]+ 197.16483 139.6
[M+K]+ 218.09417 135.4
[M+H-H2O]+ 162.12827 111.9
[M+HCOO]- 224.12921 139.3
[M+CH3COO]- 238.14486 190.3
[M+Na-2H]- 200.10568 134.3
[M]+ 179.13046 127.4
[M]- 179.13156 127.4
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.