CID 20186

Acylate

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(C)OC(=O)N(C1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C12H15NO4/c1-9(2)16-12(15)13(17-10(3)14)11-7-5-4-6-8-11/h4-9H,1-3H3
InChIKey
ODIGIKRIUKFKHP-UHFFFAOYSA-N
Compound name
(N-propan-2-yloxycarbonylanilino) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38016
Patents

237.10011 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.9
[M+Na]+ 260.08933 158.2
[M-H]- 236.09283 157.8
[M+NH4]+ 255.13393 170.7
[M+K]+ 276.06327 159.5
[M+H-H2O]+ 220.09737 145.9
[M+HCOO]- 282.09831 176.4
[M+CH3COO]- 296.11396 195.1
[M+Na-2H]- 258.07478 155.4
[M]+ 237.09956 156.6
[M]- 237.10066 156.6
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