CID 65962082

1-(methylcarbamoyl)azetidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H10N2O3
SMILES
CNC(=O)N1CC(C1)C(=O)O
InChI
InChI=1S/C6H10N2O3/c1-7-6(11)8-2-4(3-8)5(9)10/h4H,2-3H2,1H3,(H,7,11)(H,9,10)
InChIKey
PWOKSIPXOXTBQJ-UHFFFAOYSA-N
Compound name
1-(methylcarbamoyl)azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.06914 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.076416 134.9
[M+Na]+ 181.058358 139.5
[M-H]- 157.061864 135.7
[M+NH4]+ 176.102963 146.7
[M+K]+ 197.032298 142.6
[M+H-H2O]+ 141.066400 123.2
[M+HCOO]- 203.067341 154.0
[M+CH3COO]- 217.082991 179.4
[M+Na-2H]- 179.043806 137.7
[M]+ 158.06859142 141.3
[M]- 158.06968858 141.3
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