CID 69386399

Tert-butyl 3-(4-aminobutyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)CCCCN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-9-7-11(10-15)6-4-5-8-14/h11H,4-10,14H2,1-3H3
InChIKey
BMRCCSNPULOUQA-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-aminobutyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.19943 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 162.5
[M+Na]+ 265.18865 166.6
[M-H]- 241.19215 163.3
[M+NH4]+ 260.23325 180.2
[M+K]+ 281.16259 165.3
[M+H-H2O]+ 225.19669 155.9
[M+HCOO]- 287.19763 180.7
[M+CH3COO]- 301.21328 194.5
[M+Na-2H]- 263.17410 162.5
[M]+ 242.19888 161.6
[M]- 242.19998 161.6
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