CID 118114054

1788908-19-9

Structural Information

Molecular Formula
C8H13N
SMILES
CC1(CCCNC1)C#C
InChI
InChI=1S/C8H13N/c1-3-8(2)5-4-6-9-7-8/h1,9H,4-7H2,2H3
InChIKey
BKFGVPSCQSYSHU-UHFFFAOYSA-N
Compound name
3-ethynyl-3-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

123.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.11208 126.6
[M+Na]+ 146.09402 135.0
[M-H]- 122.09752 126.0
[M+NH4]+ 141.13862 146.3
[M+K]+ 162.06796 130.7
[M+H-H2O]+ 106.10206 115.6
[M+HCOO]- 168.10300 139.4
[M+CH3COO]- 182.11865 176.9
[M+Na-2H]- 144.07947 132.3
[M]+ 123.10425 115.6
[M]- 123.10535 115.6
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