CID 25220871

1142198-19-3

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCOC(=O)C1(CCC1)C(=O)N
InChI
InChI=1S/C8H13NO3/c1-2-12-7(11)8(6(9)10)4-3-5-8/h2-5H2,1H3,(H2,9,10)
InChIKey
XJENSZIDXWFFGW-UHFFFAOYSA-N
Compound name
ethyl 1-carbamoylcyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

171.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 140.0
[M+Na]+ 194.078758 144.2
[M-H]- 170.082264 142.8
[M+NH4]+ 189.123363 154.7
[M+K]+ 210.052698 147.4
[M+H-H2O]+ 154.086800 130.1
[M+HCOO]- 216.087741 160.5
[M+CH3COO]- 230.103391 183.5
[M+Na-2H]- 192.064206 143.0
[M]+ 171.08899142 147.5
[M]- 171.09008858 147.5
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