CID 165438036

2386369-79-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)NCCC12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C13H21NO4/c1-11(2,3)18-10(17)14-5-4-12-6-13(7-12,8-12)9(15)16/h4-8H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
CEQSRNXDIVMKCZ-UHFFFAOYSA-N
Compound name
3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.14706 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.154336 187.9
[M+Na]+ 278.136278 187.8
[M-H]- 254.139784 188.8
[M+NH4]+ 273.180883 190.0
[M+K]+ 294.110218 194.4
[M+H-H2O]+ 238.144320 173.7
[M+HCOO]- 300.145261 196.4
[M+CH3COO]- 314.160911 219.1
[M+Na-2H]- 276.121726 190.2
[M]+ 255.14651142 212.8
[M]- 255.14760858 212.8
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

No patent data available for this compound.