CID 448301

1,1-dimethyl-prolinium

Structural Information

Molecular Formula
C7H14NO2
SMILES
C[N+]1(CCC[C@H]1C(=O)O)C
InChI
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1
InChIKey
CMUNUTVVOOHQPW-LURJTMIESA-O
Compound name
(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

166
References

3614
Patents

144.10245 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.10973 127.9
[M+Na]+ 167.09167 135.4
[M-H]- 143.09517 129.2
[M+NH4]+ 162.13627 151.1
[M+K]+ 183.06561 129.1
[M+H-H2O]+ 127.09971 126.4
[M+HCOO]- 189.10065 147.4
[M+CH3COO]- 203.11630 163.8
[M+Na-2H]- 165.07712 134.3
[M]+ 144.10190 123.9
[M]- 144.10300 123.9
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

No patent data available for this compound.