CID 9860720

Schembl775505

Structural Information

Molecular Formula
C17H37NO2
SMILES
CCCCCCCCCCCCCCC(CO)(CO)N
InChI
InChI=1S/C17H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(18,15-19)16-20/h19-20H,2-16,18H2,1H3
InChIKey
BXIWYZLGTUWLCD-UHFFFAOYSA-N
Compound name
2-amino-2-tetradecylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

459
Patents

287.28244 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.289716 179.6
[M+Na]+ 310.271658 180.8
[M-H]- 286.275164 174.6
[M+NH4]+ 305.316263 193.6
[M+K]+ 326.245598 176.9
[M+H-H2O]+ 270.279700 173.4
[M+HCOO]- 332.280641 196.0
[M+CH3COO]- 346.296291 203.7
[M+Na-2H]- 308.257106 179.7
[M]+ 287.28189142 181.7
[M]- 287.28298858 181.7
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.