CID 112693924

1314778-71-6

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2(CC2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-11-6-4-10(5-7-11)15(8-9-15)12(17)18/h4-7H,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
YQFVRQRUIKFSJF-UHFFFAOYSA-N
Compound name
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 160.7
[M+Na]+ 300.12062 168.2
[M-H]- 276.12412 167.0
[M+NH4]+ 295.16522 173.1
[M+K]+ 316.09456 166.1
[M+H-H2O]+ 260.12866 155.7
[M+HCOO]- 322.12960 180.7
[M+CH3COO]- 336.14525 200.1
[M+Na-2H]- 298.10607 165.5
[M]+ 277.13085 164.8
[M]- 277.13195 164.8
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.