CID 2734495

(2s)-1-[(tert-butoxy)carbonyl]azetidine-2-carboxylic acid

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

1293
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 145.3
[M+Na]+ 224.08933 150.1
[M-H]- 200.09283 146.1
[M+NH4]+ 219.13393 156.0
[M+K]+ 240.06327 153.4
[M+H-H2O]+ 184.09737 134.6
[M+HCOO]- 246.09831 161.3
[M+CH3COO]- 260.11396 185.0
[M+Na-2H]- 222.07478 147.5
[M]+ 201.09956 154.6
[M]- 201.10066 154.6
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