CID 519874

2,2,5,5-tetramethyl-3-carboxypyrrolidinooxy

Structural Information

Molecular Formula
C9H16NO3
SMILES
CC1(CC(C(N1[O])(C)C)C(=O)O)C
InChI
InChI=1S/C9H16NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6H,5H2,1-4H3,(H,11,12)
InChIKey
GEPIUTWNBHBHIO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

34
References

31
Patents

186.11302 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12030 135.8
[M+Na]+ 209.10224 145.2
[M-H]- 185.10574 137.6
[M+NH4]+ 204.14684 160.0
[M+K]+ 225.07618 144.9
[M+H-H2O]+ 169.11028 132.9
[M+HCOO]- 231.11122 155.3
[M+CH3COO]- 245.12687 181.0
[M+Na-2H]- 207.08769 139.3
[M]+ 186.11247 137.2
[M]- 186.11357 137.2
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