CID 96205

6626-36-4

Structural Information

Molecular Formula
C12H23NO4
SMILES
C=CCOCC(CNCC(COCC=C)O)O
InChI
InChI=1S/C12H23NO4/c1-3-5-16-9-11(14)7-13-8-12(15)10-17-6-4-2/h3-4,11-15H,1-2,5-10H2
InChIKey
FOLUGAPHACONGE-UHFFFAOYSA-N
Compound name
1-[(2-hydroxy-3-prop-2-enoxypropyl)amino]-3-prop-2-enoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

245.1627 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 160.5
[M+Na]+ 268.151918 163.4
[M-H]- 244.155424 156.8
[M+NH4]+ 263.196523 175.8
[M+K]+ 284.125858 161.4
[M+H-H2O]+ 228.159960 154.3
[M+HCOO]- 290.160901 179.6
[M+CH3COO]- 304.176551 192.9
[M+Na-2H]- 266.137366 161.1
[M]+ 245.16215142 162.4
[M]- 245.16324858 162.4
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

patents stripe