CID 3060080

77694-26-9

Structural Information

Molecular Formula
C7H12N2O3
SMILES
CC1(CC(C(=O)O1)NC(=O)N)C
InChI
InChI=1S/C7H12N2O3/c1-7(2)3-4(5(10)12-7)9-6(8)11/h4H,3H2,1-2H3,(H3,8,9,11)
InChIKey
NFZKAERYQJOAOG-UHFFFAOYSA-N
Compound name
(5,5-dimethyl-2-oxooxolan-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 134.1
[M+Na]+ 195.074018 141.5
[M-H]- 171.077524 138.3
[M+NH4]+ 190.118623 156.2
[M+K]+ 211.047958 142.0
[M+H-H2O]+ 155.082060 129.8
[M+HCOO]- 217.083001 157.5
[M+CH3COO]- 231.098651 181.8
[M+Na-2H]- 193.059466 138.7
[M]+ 172.08425142 132.4
[M]- 172.08534858 132.4
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.