CID 145913424

2147925-37-7

Structural Information

Molecular Formula
C12H21NO
SMILES
CCCC1(CCCN(C1)CCC#C)O
InChI
InChI=1S/C12H21NO/c1-3-5-9-13-10-6-8-12(14,11-13)7-4-2/h1,14H,4-11H2,2H3
InChIKey
BNJADFBJLVVVAD-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-propylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 143.5
[M+Na]+ 218.15153 151.2
[M-H]- 194.15503 142.6
[M+NH4]+ 213.19613 160.9
[M+K]+ 234.12547 146.6
[M+H-H2O]+ 178.15957 132.0
[M+HCOO]- 240.16051 155.4
[M+CH3COO]- 254.17616 190.5
[M+Na-2H]- 216.13698 146.9
[M]+ 195.16176 135.5
[M]- 195.16286 135.5
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.