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

20
Patents

267.14706 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 188.5
[M+Na]+ 290.136278 188.3
[M-H]- 266.139784 190.9
[M+NH4]+ 285.180883 185.1
[M+K]+ 306.110218 195.2
[M+H-H2O]+ 250.144320 173.7
[M+HCOO]- 312.145261 192.8
[M+CH3COO]- 326.160911 233.4
[M+Na-2H]- 288.121726 187.9
[M]+ 267.14651142 213.8
[M]- 267.14760858 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