CID 22450243

155567-87-6

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)C(=O)O
InChI
InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15(4)9-10-6-5-7-11(8-10)12(16)17/h5-8H,9H2,1-4H3,(H,16,17)
InChIKey
HUOJYSVQAFOIHI-UHFFFAOYSA-N
Compound name
3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

265.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.4
[M+Na]+ 288.12062 165.9
[M-H]- 264.12412 164.0
[M+NH4]+ 283.16522 176.7
[M+K]+ 304.09456 165.9
[M+H-H2O]+ 248.12866 154.1
[M+HCOO]- 310.12960 181.1
[M+CH3COO]- 324.14525 199.9
[M+Na-2H]- 286.10607 162.9
[M]+ 265.13085 163.5
[M]- 265.13195 163.5
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