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]+ 159.07642 134.9
[M+Na]+ 181.05836 139.5
[M-H]- 157.06186 135.7
[M+NH4]+ 176.10296 146.7
[M+K]+ 197.03230 142.6
[M+H-H2O]+ 141.06640 123.2
[M+HCOO]- 203.06734 154.0
[M+CH3COO]- 217.08299 179.4
[M+Na-2H]- 179.04381 137.7
[M]+ 158.06859 141.3
[M]- 158.06969 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