CID 26190978

946713-58-2

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]+ 154.122646 132.0
[M+Na]+ 176.104588 138.9
[M-H]- 152.108094 130.6
[M+NH4]+ 171.149193 148.6
[M+K]+ 192.078528 135.2
[M+H-H2O]+ 136.112630 119.8
[M+HCOO]- 198.113571 144.6
[M+CH3COO]- 212.129221 181.8
[M+Na-2H]- 174.090036 136.3
[M]+ 153.11482142 122.3
[M]- 153.11591858 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