CID 145754

Carbamoyloxyurea

Structural Information

Molecular Formula
C2H5N3O3
SMILES
C(=O)(N)NOC(=O)N
InChI
InChI=1S/C2H5N3O3/c3-1(6)5-8-2(4)7/h(H2,4,7)(H3,3,5,6)
InChIKey
XCGWUIXOGKKOEY-UHFFFAOYSA-N
Compound name
(carbamoylamino) carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

977
Patents

119.03309 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.04037 119.8
[M+Na]+ 142.02231 126.2
[M-H]- 118.02581 119.7
[M+NH4]+ 137.06691 140.5
[M+K]+ 157.99625 127.4
[M+H-H2O]+ 102.03035 114.2
[M+HCOO]- 164.03129 145.7
[M+CH3COO]- 178.04694 172.7
[M+Na-2H]- 140.00776 124.7
[M]+ 119.03254 116.3
[M]- 119.03364 116.3
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

No patent data available for this compound.