CID 26190978

4-[(2-propynyloxy)methyl]piperidine

Structural Information

Molecular Formula
C9H15NO
SMILES
C#CCOCC1CCNCC1
InChI
InChI=1S/C9H15NO/c1-2-7-11-8-9-3-5-10-6-4-9/h1,9-10H,3-8H2
InChIKey
HHQHFQSQJUKIHT-UHFFFAOYSA-N
Compound name
4-(prop-2-ynoxymethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 132.0
[M+Na]+ 176.10459 138.9
[M-H]- 152.10809 130.6
[M+NH4]+ 171.14919 148.6
[M+K]+ 192.07853 135.2
[M+H-H2O]+ 136.11263 119.8
[M+HCOO]- 198.11357 144.6
[M+CH3COO]- 212.12922 181.8
[M+Na-2H]- 174.09004 136.3
[M]+ 153.11482 122.3
[M]- 153.11592 122.3
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