CID 139026602

2227205-20-9

Structural Information

Molecular Formula
C14H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C14H21NO4/c1-12(2,3)19-11(18)15-4-9(5-15)13-6-14(7-13,8-13)10(16)17/h9H,4-8H2,1-3H3,(H,16,17)
InChIKey
WJYSUWUVZGYYDJ-UHFFFAOYSA-N
Compound name
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

267.14706 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.15434 190.7
[M+Na]+ 290.13628 184.1
[M+NH4]+ 285.18088 186.1
[M+K]+ 306.11022 183.6
[M-H]- 266.13978 182.3
[M+Na-2H]- 288.12173 183.3
[M]+ 267.14651 184.5
[M]- 267.14761 184.5
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