CID 37912738

927802-56-0

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(C)OC1=C(C=C(C=C1)C(=O)OC)N
InChI
InChI=1S/C11H15NO3/c1-7(2)15-10-5-4-8(6-9(10)12)11(13)14-3/h4-7H,12H2,1-3H3
InChIKey
CXEMBXXFMPWKTJ-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-propan-2-yloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

209.1052 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 145.9
[M+Na]+ 232.09442 153.2
[M-H]- 208.09792 149.5
[M+NH4]+ 227.13902 164.6
[M+K]+ 248.06836 152.5
[M+H-H2O]+ 192.10246 139.8
[M+HCOO]- 254.10340 169.1
[M+CH3COO]- 268.11905 190.2
[M+Na-2H]- 230.07987 148.4
[M]+ 209.10465 147.9
[M]- 209.10575 147.9
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