CID 3086210

Einecs 286-736-5

Structural Information

Molecular Formula
C11H21N3O3
SMILES
C=CCOC[C@@H](CNCCN1CCNC1=O)O
InChI
InChI=1S/C11H21N3O3/c1-2-7-17-9-10(15)8-12-3-5-14-6-4-13-11(14)16/h2,10,12,15H,1,3-9H2,(H,13,16)/t10-/m1/s1
InChIKey
QULBNKHMPKDBJG-SNVBAGLBSA-N
Compound name
1-[2-[[(2R)-2-hydroxy-3-prop-2-enoxypropyl]amino]ethyl]imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1583 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.165576 158.1
[M+Na]+ 266.147518 161.6
[M-H]- 242.151024 155.0
[M+NH4]+ 261.192123 172.5
[M+K]+ 282.121458 158.8
[M+H-H2O]+ 226.155560 150.2
[M+HCOO]- 288.156501 175.2
[M+CH3COO]- 302.172151 189.8
[M+Na-2H]- 264.132966 158.5
[M]+ 243.15775142 155.6
[M]- 243.15884858 155.6
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