CID 7408289

79775-07-8

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C)(C)O[C@@H]1C[C@H](NC1)C(=O)O
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-6-4-7(8(11)12)10-5-6/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1
InChIKey
XTQZONYRNXFGCY-RQJHMYQMSA-N
Compound name
(2S,4R)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

187.12085 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 143.7
[M+Na]+ 210.11007 149.4
[M-H]- 186.11357 142.9
[M+NH4]+ 205.15467 162.6
[M+K]+ 226.08401 148.2
[M+H-H2O]+ 170.11811 138.7
[M+HCOO]- 232.11905 160.0
[M+CH3COO]- 246.13470 176.4
[M+Na-2H]- 208.09552 145.6
[M]+ 187.12030 141.0
[M]- 187.12140 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe