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]+ 173.09208 134.1
[M+Na]+ 195.07402 141.5
[M-H]- 171.07752 138.3
[M+NH4]+ 190.11862 156.2
[M+K]+ 211.04796 142.0
[M+H-H2O]+ 155.08206 129.8
[M+HCOO]- 217.08300 157.5
[M+CH3COO]- 231.09865 181.8
[M+Na-2H]- 193.05947 138.7
[M]+ 172.08425 132.4
[M]- 172.08535 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.