CID 115873092

3,3-dimethyl-1-(pent-4-yn-1-yl)piperidine

Structural Information

Molecular Formula
C12H21N
SMILES
CC1(CCCN(C1)CCCC#C)C
InChI
InChI=1S/C12H21N/c1-4-5-6-9-13-10-7-8-12(2,3)11-13/h1H,5-11H2,2-3H3
InChIKey
ZVAKVYDYEAOVEW-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1-pent-4-ynylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 139.0
[M+Na]+ 202.15662 147.2
[M-H]- 178.16012 139.4
[M+NH4]+ 197.20122 157.7
[M+K]+ 218.13056 142.9
[M+H-H2O]+ 162.16466 127.4
[M+HCOO]- 224.16560 152.1
[M+CH3COO]- 238.18125 191.2
[M+Na-2H]- 200.14207 143.0
[M]+ 179.16685 131.4
[M]- 179.16795 131.4
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

No patent data available for this compound.