CID 146081938

2385203-07-4

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)NCC1(CC1)C2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C16H21NO4/c1-15(2,3)21-14(20)17-10-16(7-8-16)12-6-4-5-11(9-12)13(18)19/h4-6,9H,7-8,10H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
GSDVKISDXMXYFN-UHFFFAOYSA-N
Compound name
3-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
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 164.8
[M+Na]+ 314.136278 171.9
[M-H]- 290.139784 171.0
[M+NH4]+ 309.180883 176.7
[M+K]+ 330.110218 169.6
[M+H-H2O]+ 274.144320 159.7
[M+HCOO]- 336.145261 184.6
[M+CH3COO]- 350.160911 203.0
[M+Na-2H]- 312.121726 169.2
[M]+ 291.14651142 169.3
[M]- 291.14760858 169.3
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

patents stripe