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 188.5
[M+Na]+ 290.13628 188.3
[M-H]- 266.13978 190.9
[M+NH4]+ 285.18088 185.1
[M+K]+ 306.11022 195.2
[M+H-H2O]+ 250.14432 173.7
[M+HCOO]- 312.14526 192.8
[M+CH3COO]- 326.16091 233.4
[M+Na-2H]- 288.12173 187.9
[M]+ 267.14651 213.8
[M]- 267.14761 213.8
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