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]+ 140.10700 128.1
[M+Na]+ 162.08894 135.4
[M-H]- 138.09244 126.9
[M+NH4]+ 157.13354 145.3
[M+K]+ 178.06288 132.0
[M+H-H2O]+ 122.09698 116.1
[M+HCOO]- 184.09792 141.0
[M+CH3COO]- 198.11357 179.1
[M+Na-2H]- 160.07439 132.9
[M]+ 139.09917 118.1
[M]- 139.10027 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