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

5
Patents

143.09464 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 132.0
[M+Na]+ 166.08386 137.2
[M-H]- 142.08736 132.8
[M+NH4]+ 161.12846 145.0
[M+K]+ 182.05780 140.0
[M+H-H2O]+ 126.09190 121.4
[M+HCOO]- 188.09284 149.6
[M+CH3COO]- 202.10849 177.6
[M+Na-2H]- 164.06931 134.4
[M]+ 143.09409 139.2
[M]- 143.09519 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