CID 2734148

99200-89-2

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H19NO4/c1-14(2,3)20-13(19)16-15(12(17)18)9-11(15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,19)(H,17,18)/t11-,15+/m0/s1
InChIKey
VMOVYASDUSWBOL-XHDPSFHLSA-N
Compound name
(1R,2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
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

literature stripe

Patent stripe

patents stripe