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]+ 172.09682 140.0
[M+Na]+ 194.07876 144.2
[M-H]- 170.08226 142.8
[M+NH4]+ 189.12336 154.7
[M+K]+ 210.05270 147.4
[M+H-H2O]+ 154.08680 130.1
[M+HCOO]- 216.08774 160.5
[M+CH3COO]- 230.10339 183.5
[M+Na-2H]- 192.06421 143.0
[M]+ 171.08899 147.5
[M]- 171.09009 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