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]+ 321.180876 177.0
[M+Na]+ 343.162818 181.4
[M-H]- 319.166324 181.6
[M+NH4]+ 338.207423 191.2
[M+K]+ 359.136758 179.7
[M+H-H2O]+ 303.170860 169.5
[M+HCOO]- 365.171801 195.1
[M+CH3COO]- 379.187451 207.0
[M+Na-2H]- 341.148266 176.1
[M]+ 320.17305142 177.0
[M]- 320.17414858 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.