CID 76482030

Tert-butyl 2-(4-aminobutyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC1CCCCN
InChI
InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-10-6-8-11(15)7-4-5-9-14/h11H,4-10,14H2,1-3H3
InChIKey
WTBOMRIVBYHYQG-UHFFFAOYSA-N
Compound name
tert-butyl 2-(4-aminobutyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

242.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.206706 162.5
[M+Na]+ 265.188648 166.6
[M-H]- 241.192154 163.3
[M+NH4]+ 260.233253 180.2
[M+K]+ 281.162588 165.3
[M+H-H2O]+ 225.196690 155.9
[M+HCOO]- 287.197631 180.7
[M+CH3COO]- 301.213281 194.5
[M+Na-2H]- 263.174096 162.5
[M]+ 242.19888142 161.6
[M]- 242.19997858 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