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]+ 158.117556 133.0
[M+Na]+ 180.099498 141.0
[M-H]- 156.103004 134.2
[M+NH4]+ 175.144103 156.1
[M+K]+ 196.073438 140.2
[M+H-H2O]+ 140.107540 128.8
[M+HCOO]- 202.108481 152.6
[M+CH3COO]- 216.124131 175.0
[M+Na-2H]- 178.084946 135.8
[M]+ 157.10973142 131.6
[M]- 157.11082858 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