CID 86650157

1-methyl-2-(prop-2-yn-1-yl)piperidine

Structural Information

Molecular Formula
C9H15N
SMILES
CN1CCCCC1CC#C
InChI
InChI=1S/C9H15N/c1-3-6-9-7-4-5-8-10(9)2/h1,9H,4-8H2,2H3
InChIKey
PHIVNSVSEODOJD-UHFFFAOYSA-N
Compound name
1-methyl-2-prop-2-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

137.12045 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 127.4
[M+Na]+ 160.109668 135.5
[M-H]- 136.113174 127.7
[M+NH4]+ 155.154273 145.6
[M+K]+ 176.083608 132.3
[M+H-H2O]+ 120.117710 115.4
[M+HCOO]- 182.118651 141.2
[M+CH3COO]- 196.134301 183.5
[M+Na-2H]- 158.095116 131.7
[M]+ 137.11990142 118.4
[M]- 137.12099858 118.4
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