CID 18536

3197-88-4

Structural Information

Molecular Formula
C19H27NO
SMILES
CCN(CC)CC#CC(C1CCCC1)(C2=CC=CC=C2)O
InChI
InChI=1S/C19H27NO/c1-3-20(4-2)16-10-15-19(21,18-13-8-9-14-18)17-11-6-5-7-12-17/h5-7,11-12,18,21H,3-4,8-9,13-14,16H2,1-2H3
InChIKey
KVFHDCLVCIXBDE-UHFFFAOYSA-N
Compound name
1-cyclopentyl-4-(diethylamino)-1-phenylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.216536 177.4
[M+Na]+ 308.198478 182.8
[M-H]- 284.201984 180.4
[M+NH4]+ 303.243083 192.1
[M+K]+ 324.172418 176.5
[M+H-H2O]+ 268.206520 163.9
[M+HCOO]- 330.207461 191.1
[M+CH3COO]- 344.223111 208.6
[M+Na-2H]- 306.183926 177.0
[M]+ 285.20871142 169.5
[M]- 285.20980858 169.5
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.