CID 96034

2,5-dimethylpyrrolidine

Structural Information

Molecular Formula
C6H13N
SMILES
CC1CCC(N1)C
InChI
InChI=1S/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3
InChIKey
ZEBFPAXSQXIPNF-UHFFFAOYSA-N
Compound name
2,5-dimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3742
Patents

99.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.112076 121.4
[M+Na]+ 122.094018 128.4
[M-H]- 98.097524 122.0
[M+NH4]+ 117.138623 144.6
[M+K]+ 138.067958 127.2
[M+H-H2O]+ 82.102060 116.2
[M+HCOO]- 144.103001 141.9
[M+CH3COO]- 158.118651 164.2
[M+Na-2H]- 120.079466 125.6
[M]+ 99.10425142 116.9
[M]- 99.10534858 116.9
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