CID 114413

5-(diethylamino)pent-3-yn-2-ol

Structural Information

Molecular Formula
C9H17NO
SMILES
CCN(CC)CC#CC(C)O
InChI
InChI=1S/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-5,8H2,1-3H3
InChIKey
ZBCYIXSZVFKXMB-UHFFFAOYSA-N
Compound name
5-(diethylamino)pent-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 136.6
[M+Na]+ 178.12023 144.0
[M-H]- 154.12373 136.1
[M+NH4]+ 173.16483 155.3
[M+K]+ 194.09417 143.2
[M+H-H2O]+ 138.12827 125.6
[M+HCOO]- 200.12921 153.3
[M+CH3COO]- 214.14486 189.8
[M+Na-2H]- 176.10568 139.4
[M]+ 155.13046 132.2
[M]- 155.13156 132.2
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

patents stripe