CID 71755452

Methyl 4,4-dimethylpyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC1(CNCC1C(=O)OC)C
InChI
InChI=1S/C8H15NO2/c1-8(2)5-9-4-6(8)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKey
MYLAORHZWOJMEJ-UHFFFAOYSA-N
Compound name
methyl 4,4-dimethylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

157.11028 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.5
[M+Na]+ 180.09950 141.7
[M-H]- 156.10300 135.4
[M+NH4]+ 175.14410 157.3
[M+K]+ 196.07344 140.8
[M+H-H2O]+ 140.10754 129.9
[M+HCOO]- 202.10848 154.1
[M+CH3COO]- 216.12413 173.1
[M+Na-2H]- 178.08495 137.8
[M]+ 157.10973 132.6
[M]- 157.11083 132.6
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