CID 2756769

2-n-boc-amino-5-methoxybenzoic acid

Structural Information

Molecular Formula
C13H17NO5
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)OC)C(=O)O
InChI
InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-10-6-5-8(18-4)7-9(10)11(15)16/h5-7H,1-4H3,(H,14,17)(H,15,16)
InChIKey
JBXGOBGRVPAQEQ-UHFFFAOYSA-N
Compound name
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

267.1107 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11798 159.6
[M+Na]+ 290.09992 168.4
[M+NH4]+ 285.14452 164.4
[M+K]+ 306.07386 165.9
[M-H]- 266.10342 158.5
[M+Na-2H]- 288.08537 162.7
[M]+ 267.11015 160.1
[M]- 267.11125 160.1
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