CID 4087778

Boc-2-abz-oh

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)
InChIKey
BYGHHEDJDSLEKK-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

582
Patents

237.10011 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 152.1
[M+Na]+ 260.089328 158.4
[M-H]- 236.092834 154.6
[M+NH4]+ 255.133933 169.0
[M+K]+ 276.063268 157.3
[M+H-H2O]+ 220.097370 146.4
[M+HCOO]- 282.098311 173.0
[M+CH3COO]- 296.113961 190.4
[M+Na-2H]- 258.074776 156.4
[M]+ 237.09956142 153.3
[M]- 237.10065858 153.3
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