CID 54252462

255883-24-0

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(C)N1CC[C@@H]1C(=O)O
InChI
InChI=1S/C7H13NO2/c1-5(2)8-4-3-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKey
QXSMFOUJZBBPIV-ZCFIWIBFSA-N
Compound name
(2R)-1-propan-2-ylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 132.0
[M+Na]+ 166.083858 137.2
[M-H]- 142.087364 132.8
[M+NH4]+ 161.128463 145.0
[M+K]+ 182.057798 140.0
[M+H-H2O]+ 126.091900 121.4
[M+HCOO]- 188.092841 149.6
[M+CH3COO]- 202.108491 177.6
[M+Na-2H]- 164.069306 134.4
[M]+ 143.09409142 139.2
[M]- 143.09518858 139.2
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