CID 40722

6-(1-piperidinyl)-2-hexyn-1-ol hydrochloride

Structural Information

Molecular Formula
C11H19NO
SMILES
C1CCN(CC1)CCCC#CCO
InChI
InChI=1S/C11H19NO/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h13H,1,3-6,8-11H2
InChIKey
PGPWBGZADIJSGV-UHFFFAOYSA-N
Compound name
6-piperidin-1-ylhex-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.15395 140.4
[M+Na]+ 204.13589 146.7
[M-H]- 180.13939 138.8
[M+NH4]+ 199.18049 156.2
[M+K]+ 220.10983 142.6
[M+H-H2O]+ 164.14393 127.9
[M+HCOO]- 226.14487 152.5
[M+CH3COO]- 240.16052 186.0
[M+Na-2H]- 202.12134 143.8
[M]+ 181.14612 131.2
[M]- 181.14722 131.2
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.