CID 3684317

(1-methoxypropan-2-yl)urea

Structural Information

Molecular Formula
C5H12N2O2
SMILES
CC(COC)NC(=O)N
InChI
InChI=1S/C5H12N2O2/c1-4(3-9-2)7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKey
LWKISYQIMODBPM-UHFFFAOYSA-N
Compound name
1-methoxypropan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

132.08987 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.097146 128.5
[M+Na]+ 155.079088 134.2
[M-H]- 131.082594 128.4
[M+NH4]+ 150.123693 149.5
[M+K]+ 171.053028 135.1
[M+H-H2O]+ 115.087130 123.1
[M+HCOO]- 177.088071 152.7
[M+CH3COO]- 191.103721 177.3
[M+Na-2H]- 153.064536 132.7
[M]+ 132.08932142 127.5
[M]- 132.09041858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe