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]+ 292.15434 171.5
[M+Na]+ 314.13628 174.5
[M-H]- 290.13978 176.2
[M+NH4]+ 309.18088 181.0
[M+K]+ 330.11022 176.2
[M+H-H2O]+ 274.14432 160.1
[M+HCOO]- 336.14526 188.8
[M+CH3COO]- 350.16091 203.1
[M+Na-2H]- 312.12173 173.9
[M]+ 291.14651 179.8
[M]- 291.14761 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.