CID 157119

77821-22-8

Structural Information

Molecular Formula
C10H18N2O4
SMILES
CC(C)(C)OC(=O)NN1CCC[C@H]1C(=O)O
InChI
InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)11-12-6-4-5-7(12)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)/t7-/m0/s1
InChIKey
PBLCAESKICYLIR-ZETCQYMHSA-N
Compound name
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

230.12666 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13394 152.6
[M+Na]+ 253.11588 157.4
[M-H]- 229.11938 153.2
[M+NH4]+ 248.16048 170.0
[M+K]+ 269.08982 157.3
[M+H-H2O]+ 213.12392 146.8
[M+HCOO]- 275.12486 170.6
[M+CH3COO]- 289.14051 187.8
[M+Na-2H]- 251.10133 154.0
[M]+ 230.12611 151.3
[M]- 230.12721 151.3
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