CID 2734495

51077-14-6

Structural Information

Molecular Formula
C9H15NO4
SMILES
CC(C)(C)OC(=O)N1CC[C@H]1C(=O)O
InChI
InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-5-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12)/t6-/m0/s1
InChIKey
JWJVSDZKYYXDDN-LURJTMIESA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1151
Patents

201.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10739 148.1
[M+Na]+ 224.08933 151.5
[M+NH4]+ 219.13393 149.1
[M+K]+ 240.06327 151.4
[M-H]- 200.09283 142.5
[M+Na-2H]- 222.07478 146.7
[M]+ 201.09956 145.3
[M]- 201.10066 145.3
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