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]+ 246.16998 160.5
[M+Na]+ 268.15192 163.4
[M-H]- 244.15542 156.8
[M+NH4]+ 263.19652 175.8
[M+K]+ 284.12586 161.4
[M+H-H2O]+ 228.15996 154.3
[M+HCOO]- 290.16090 179.6
[M+CH3COO]- 304.17655 192.9
[M+Na-2H]- 266.13737 161.1
[M]+ 245.16215 162.4
[M]- 245.16325 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