CID 59569585

1254945-60-2

Structural Information

Molecular Formula
C11H19NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(COC)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-5-11(6-12,7-16-4)8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKey
UTOOCYALFSVPKF-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

245.12633 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.133606 157.3
[M+Na]+ 268.115548 161.9
[M-H]- 244.119054 158.0
[M+NH4]+ 263.160153 168.2
[M+K]+ 284.089488 165.5
[M+H-H2O]+ 228.123590 147.7
[M+HCOO]- 290.124531 172.8
[M+CH3COO]- 304.140181 192.5
[M+Na-2H]- 266.100996 159.9
[M]+ 245.12578142 169.1
[M]- 245.12687858 169.1
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