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

84
Patents

155.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 136.6
[M+Na]+ 178.120228 144.0
[M-H]- 154.123734 136.1
[M+NH4]+ 173.164833 155.3
[M+K]+ 194.094168 143.2
[M+H-H2O]+ 138.128270 125.6
[M+HCOO]- 200.129211 153.3
[M+CH3COO]- 214.144861 189.8
[M+Na-2H]- 176.105676 139.4
[M]+ 155.13046142 132.2
[M]- 155.13155858 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