CID 11031219

Tert-butyl (3s)-3-(2-aminoethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)CCN
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKey
JHHBMDKAYOQBBB-VIFPVBQESA-N
Compound name
tert-butyl (3S)-3-(2-aminoethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

214.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 153.3
[M+Na]+ 237.15734 158.4
[M-H]- 213.16084 154.5
[M+NH4]+ 232.20194 172.2
[M+K]+ 253.13128 157.5
[M+H-H2O]+ 197.16538 147.2
[M+HCOO]- 259.16632 172.2
[M+CH3COO]- 273.18197 188.5
[M+Na-2H]- 235.14279 154.4
[M]+ 214.16757 151.7
[M]- 214.16867 151.7
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