CID 59859689

1035351-06-4

Structural Information

Molecular Formula
C9H15NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)O
InChI
InChI=1S/C9H15NO5/c1-8(2,3)15-7(13)10-4-9(14,5-10)6(11)12/h14H,4-5H2,1-3H3,(H,11,12)
InChIKey
JUVBVTZAIHSJDI-UHFFFAOYSA-N
Compound name
3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

217.09502 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10230 150.1
[M+Na]+ 240.08424 155.0
[M-H]- 216.08774 149.7
[M+NH4]+ 235.12884 161.3
[M+K]+ 256.05818 158.2
[M+H-H2O]+ 200.09228 140.9
[M+HCOO]- 262.09322 164.6
[M+CH3COO]- 276.10887 184.3
[M+Na-2H]- 238.06969 153.0
[M]+ 217.09447 159.2
[M]- 217.09557 159.2
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