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 160.4
[M+Na]+ 262.17774 164.7
[M-H]- 238.18124 159.9
[M+NH4]+ 257.22234 174.8
[M+K]+ 278.15168 161.3
[M+H-H2O]+ 222.18578 148.7
[M+HCOO]- 284.18672 171.5
[M+CH3COO]- 298.20237 200.2
[M+Na-2H]- 260.16319 161.7
[M]+ 239.18797 151.4
[M]- 239.18907 151.4
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.