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

860
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

literature stripe

Patent stripe

patents stripe