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

10
Patents

291.14706 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 164.8
[M+Na]+ 314.13628 171.9
[M-H]- 290.13978 171.0
[M+NH4]+ 309.18088 176.7
[M+K]+ 330.11022 169.6
[M+H-H2O]+ 274.14432 159.7
[M+HCOO]- 336.14526 184.6
[M+CH3COO]- 350.16091 203.0
[M+Na-2H]- 312.12173 169.2
[M]+ 291.14651 169.3
[M]- 291.14761 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