CID 3067057

1-(cyclohexyloxy)-3-((1,1-dimethyl-2-propynyl)amino)-2-propanol oxalate

Structural Information

Molecular Formula
C14H25NO2
SMILES
CC(C)(C#C)NCC(COC1CCCCC1)O
InChI
InChI=1S/C14H25NO2/c1-4-14(2,3)15-10-12(16)11-17-13-8-6-5-7-9-13/h1,12-13,15-16H,5-11H2,2-3H3
InChIKey
FDUNJMHTCMGPQX-UHFFFAOYSA-N
Compound name
1-cyclohexyloxy-3-(2-methylbut-3-yn-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.18852 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.19580 159.7
[M+Na]+ 262.17774 166.8
[M+NH4]+ 257.22234 162.9
[M+K]+ 278.15168 159.0
[M-H]- 238.18124 152.1
[M+Na-2H]- 260.16319 159.4
[M]+ 239.18797 157.4
[M]- 239.18907 157.4
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.