CID 26191649

1185100-09-7

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CCOC1CCNCC1
InChI
InChI=1S/C8H13NO/c1-2-7-10-8-3-5-9-6-4-8/h1,8-9H,3-7H2
InChIKey
LYWWBTTXRARIPK-UHFFFAOYSA-N
Compound name
4-prop-2-ynoxypiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

139.09972 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.106996 128.1
[M+Na]+ 162.088938 135.4
[M-H]- 138.092444 126.9
[M+NH4]+ 157.133543 145.3
[M+K]+ 178.062878 132.0
[M+H-H2O]+ 122.096980 116.1
[M+HCOO]- 184.097921 141.0
[M+CH3COO]- 198.113571 179.1
[M+Na-2H]- 160.074386 132.9
[M]+ 139.09917142 118.1
[M]- 139.10026858 118.1
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