CID 90506

2-undecyl-2-oxazoline-4,4-dimethanol

Structural Information

Molecular Formula
C16H31NO3
SMILES
CCCCCCCCCCCC1=NC(CO1)(CO)CO
InChI
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-15-17-16(12-18,13-19)14-20-15/h18-19H,2-14H2,1H3
InChIKey
XMQGZCSSTZWPTO-UHFFFAOYSA-N
Compound name
[4-(hydroxymethyl)-2-undecyl-5H-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

285.2304 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.237676 172.2
[M+Na]+ 308.219618 176.2
[M-H]- 284.223124 170.9
[M+NH4]+ 303.264223 187.8
[M+K]+ 324.193558 173.8
[M+H-H2O]+ 268.227660 165.8
[M+HCOO]- 330.228601 189.0
[M+CH3COO]- 344.244251 196.9
[M+Na-2H]- 306.205066 174.0
[M]+ 285.22985142 176.2
[M]- 285.23094858 176.2
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

patents stripe