CID 85295923

1822572-96-2

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)NC(C1CC1C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(20)17-13(14(18)19)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-13H,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
MKRBJMXKISBPHL-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 162.9
[M+Na]+ 314.136278 169.0
[M-H]- 290.139784 168.9
[M+NH4]+ 309.180883 172.8
[M+K]+ 330.110218 166.2
[M+H-H2O]+ 274.144320 156.6
[M+HCOO]- 336.145261 182.2
[M+CH3COO]- 350.160911 204.3
[M+Na-2H]- 312.121726 165.0
[M]+ 291.14651142 166.4
[M]- 291.14760858 166.4
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.