CID 688605

(s)-2-(1-boc-2-pyrrolidinyl)acetic acid

Structural Information

Molecular Formula
C11H19NO4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)O
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKey
GDWKIRLZWQQMIE-QMMMGPOBSA-N
Compound name
2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

490
Patents

229.13141 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.13869 153.5
[M+Na]+ 252.12063 158.8
[M-H]- 228.12413 153.9
[M+NH4]+ 247.16523 171.3
[M+K]+ 268.09457 158.5
[M+H-H2O]+ 212.12867 148.1
[M+HCOO]- 274.12961 170.1
[M+CH3COO]- 288.14526 185.8
[M+Na-2H]- 250.10608 153.9
[M]+ 229.13086 153.3
[M]- 229.13196 153.3
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

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