CID 272625

Cyclobutylurea

Structural Information

Molecular Formula
C5H10N2O
SMILES
C1CC(C1)NC(=O)N
InChI
InChI=1S/C5H10N2O/c6-5(8)7-4-2-1-3-4/h4H,1-3H2,(H3,6,7,8)
InChIKey
XVDWZTJGQBNPFX-UHFFFAOYSA-N
Compound name
cyclobutylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

114.079315 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.086591 124.4
[M+Na]+ 137.068533 128.2
[M-H]- 113.072039 127.2
[M+NH4]+ 132.113138 139.2
[M+K]+ 153.042473 131.3
[M+H-H2O]+ 97.076575 113.0
[M+HCOO]- 159.077516 147.2
[M+CH3COO]- 173.093166 175.9
[M+Na-2H]- 135.053981 129.3
[M]+ 114.07876642 128.2
[M]- 114.07986358 128.2
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