CID 165177

3-pentyn-2-ol, 5-(diethylamino)-2-methyl-

Structural Information

Molecular Formula
C10H19NO
SMILES
CCN(CC)CC#CC(C)(C)O
InChI
InChI=1S/C10H19NO/c1-5-11(6-2)9-7-8-10(3,4)12/h12H,5-6,9H2,1-4H3
InChIKey
UITKNHVNSHJCJY-UHFFFAOYSA-N
Compound name
5-(diethylamino)-2-methylpent-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

169.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 142.3
[M+Na]+ 192.135888 149.8
[M-H]- 168.139394 141.8
[M+NH4]+ 187.180493 160.6
[M+K]+ 208.109828 148.9
[M+H-H2O]+ 152.143930 131.6
[M+HCOO]- 214.144871 158.2
[M+CH3COO]- 228.160521 192.0
[M+Na-2H]- 190.121336 146.1
[M]+ 169.14612142 138.3
[M]- 169.14721858 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe