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]+ 180.138286 127.7
[M+Na]+ 202.120228 134.7
[M-H]- 178.123734 130.2
[M+NH4]+ 197.164833 139.6
[M+K]+ 218.094168 135.4
[M+H-H2O]+ 162.128270 111.9
[M+HCOO]- 224.129211 139.3
[M+CH3COO]- 238.144861 190.3
[M+Na-2H]- 200.105676 134.3
[M]+ 179.13046142 127.4
[M]- 179.13155858 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.