CID 119030490

1803567-01-2

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CC(C)(C)OC(=O)N1CC(CC1C(=O)O)CCN
InChI
InChI=1S/C12H22N2O4/c1-12(2,3)18-11(17)14-7-8(4-5-13)6-9(14)10(15)16/h8-9H,4-7,13H2,1-3H3,(H,15,16)
InChIKey
NHWPMCHBQRITJA-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 161.6
[M+Na]+ 281.147178 166.4
[M-H]- 257.150684 161.7
[M+NH4]+ 276.191783 177.9
[M+K]+ 297.121118 165.6
[M+H-H2O]+ 241.155220 155.8
[M+HCOO]- 303.156161 178.3
[M+CH3COO]- 317.171811 194.6
[M+Na-2H]- 279.132626 160.3
[M]+ 258.15741142 160.4
[M]- 258.15850858 160.4
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.