CID 87570544

959918-27-5

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(=O)N1CCCC(C1)C#C
InChI
InChI=1S/C9H13NO/c1-3-9-5-4-6-10(7-9)8(2)11/h1,9H,4-7H2,2H3
InChIKey
XYIWOMGBQOHSGX-UHFFFAOYSA-N
Compound name
1-(3-ethynylpiperidin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

151.09972 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 135.0
[M+Na]+ 174.08894 145.7
[M+NH4]+ 169.13354 139.6
[M+K]+ 190.06288 137.0
[M-H]- 150.09244 128.0
[M+Na-2H]- 172.07439 136.7
[M]+ 151.09917 133.6
[M]- 151.10027 133.6
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