CID 47002888

1235439-65-2

Structural Information

Molecular Formula
C17H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC1COC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-10-4-5-14(19)11-22-15(20)12-6-8-13(18)9-7-12/h6-9,14H,4-5,10-11,18H2,1-3H3
InChIKey
QLRFXKYTGSVXQJ-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(4-aminobenzoyl)oxymethyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1736 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.18088 177.0
[M+Na]+ 343.16282 181.4
[M-H]- 319.16632 181.6
[M+NH4]+ 338.20742 191.2
[M+K]+ 359.13676 179.7
[M+H-H2O]+ 303.17086 169.5
[M+HCOO]- 365.17180 195.1
[M+CH3COO]- 379.18745 207.0
[M+Na-2H]- 341.14827 176.1
[M]+ 320.17305 177.0
[M]- 320.17415 177.0
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

No patent data available for this compound.