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

1020
Patents

119.03309 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.040366 119.8
[M+Na]+ 142.022308 126.2
[M-H]- 118.025814 119.7
[M+NH4]+ 137.066913 140.5
[M+K]+ 157.996248 127.4
[M+H-H2O]+ 102.030350 114.2
[M+HCOO]- 164.031291 145.7
[M+CH3COO]- 178.046941 172.7
[M+Na-2H]- 140.007756 124.7
[M]+ 119.03254142 116.3
[M]- 119.03363858 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