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]+ 259.16524 161.6
[M+Na]+ 281.14718 166.4
[M-H]- 257.15068 161.7
[M+NH4]+ 276.19178 177.9
[M+K]+ 297.12112 165.6
[M+H-H2O]+ 241.15522 155.8
[M+HCOO]- 303.15616 178.3
[M+CH3COO]- 317.17181 194.6
[M+Na-2H]- 279.13263 160.3
[M]+ 258.15741 160.4
[M]- 258.15851 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.