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

61
Patents

146.10553 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11281 132.7
[M+Na]+ 169.09475 137.8
[M-H]- 145.09825 131.5
[M+NH4]+ 164.13935 152.8
[M+K]+ 185.06869 137.4
[M+H-H2O]+ 129.10279 127.2
[M+HCOO]- 191.10373 156.6
[M+CH3COO]- 205.11938 176.9
[M+Na-2H]- 167.08020 138.2
[M]+ 146.10498 131.7
[M]- 146.10608 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