CID 131041761

1864856-77-8

Structural Information

Molecular Formula
C12H21N
SMILES
CC1CC(CN(C1)CCC#C)(C)C
InChI
InChI=1S/C12H21N/c1-5-6-7-13-9-11(2)8-12(3,4)10-13/h1,11H,6-10H2,2-4H3
InChIKey
NUOCJTYCTWESNF-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3,3,5-trimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 138.0
[M+Na]+ 202.15662 146.9
[M-H]- 178.16012 138.8
[M+NH4]+ 197.20122 157.0
[M+K]+ 218.13056 142.8
[M+H-H2O]+ 162.16466 126.8
[M+HCOO]- 224.16560 151.1
[M+CH3COO]- 238.18125 192.2
[M+Na-2H]- 200.14207 141.4
[M]+ 179.16685 130.8
[M]- 179.16795 130.8
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

No patent data available for this compound.