CID 458359

6914-75-6

Structural Information

Molecular Formula
C7H11NO3
SMILES
CCOC(=O)C1(CC1)C(=O)N
InChI
InChI=1S/C7H11NO3/c1-2-11-6(10)7(3-4-7)5(8)9/h2-4H2,1H3,(H2,8,9)
InChIKey
FHOYQSZNVLSDNK-UHFFFAOYSA-N
Compound name
ethyl 1-carbamoylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

157.0739 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 133.0
[M+Na]+ 180.06312 141.7
[M-H]- 156.06662 137.5
[M+NH4]+ 175.10772 150.3
[M+K]+ 196.03706 141.0
[M+H-H2O]+ 140.07116 128.5
[M+HCOO]- 202.07210 155.9
[M+CH3COO]- 216.08775 180.9
[M+Na-2H]- 178.04857 138.0
[M]+ 157.07335 136.2
[M]- 157.07445 136.2
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

patents stripe