CID 4113675

1-ethyl-3-(3-hydroxypropyl)urea

Structural Information

Molecular Formula
C6H14N2O2
SMILES
CCNC(=O)NCCCO
InChI
InChI=1S/C6H14N2O2/c1-2-7-6(10)8-4-3-5-9/h9H,2-5H2,1H3,(H2,7,8,10)
InChIKey
KGRHIUPOERZWSM-UHFFFAOYSA-N
Compound name
1-ethyl-3-(3-hydroxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

146.10553 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.112806 132.7
[M+Na]+ 169.094748 137.8
[M-H]- 145.098254 131.5
[M+NH4]+ 164.139353 152.8
[M+K]+ 185.068688 137.4
[M+H-H2O]+ 129.102790 127.2
[M+HCOO]- 191.103731 156.6
[M+CH3COO]- 205.119381 176.9
[M+Na-2H]- 167.080196 138.2
[M]+ 146.10498142 131.7
[M]- 146.10607858 131.7
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

patents stripe