CID 89612104

2241139-04-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CC(N(C1)C)C(=O)O)C
InChI
InChI=1S/C8H15NO2/c1-8(2)4-6(7(10)11)9(3)5-8/h6H,4-5H2,1-3H3,(H,10,11)
InChIKey
JEMJUABMNNBKBO-UHFFFAOYSA-N
Compound name
1,4,4-trimethylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

157.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 133.0
[M+Na]+ 180.09950 141.0
[M-H]- 156.10300 134.2
[M+NH4]+ 175.14410 156.1
[M+K]+ 196.07344 140.2
[M+H-H2O]+ 140.10754 128.8
[M+HCOO]- 202.10848 152.6
[M+CH3COO]- 216.12413 175.0
[M+Na-2H]- 178.08495 135.8
[M]+ 157.10973 131.6
[M]- 157.11083 131.6
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