CID 121604597

1993314-86-5

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)NC1(CC(C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-16(13(18)19)9-12(10-16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
LUZNJECDSQVUKO-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 171.5
[M+Na]+ 314.136278 174.5
[M-H]- 290.139784 176.2
[M+NH4]+ 309.180883 181.0
[M+K]+ 330.110218 176.2
[M+H-H2O]+ 274.144320 160.1
[M+HCOO]- 336.145261 188.8
[M+CH3COO]- 350.160911 203.1
[M+Na-2H]- 312.121726 173.9
[M]+ 291.14651142 179.8
[M]- 291.14760858 179.8
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.