CID 2760951

3-(tert-butoxycarbonyl)benzoic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(C)(C)OC(=O)C1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C12H14O4/c1-12(2,3)16-11(15)9-6-4-5-8(7-9)10(13)14/h4-7H,1-3H3,(H,13,14)
InChIKey
OFILKMBFUQQLSU-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

222.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 148.4
[M+Na]+ 245.07842 158.8
[M+NH4]+ 240.12302 154.5
[M+K]+ 261.05236 155.4
[M-H]- 221.08192 147.6
[M+Na-2H]- 243.06387 152.8
[M]+ 222.08865 149.4
[M]- 222.08975 149.4
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