CID 21572701

2,2,5-trimethylpyrrolidine

Structural Information

Molecular Formula
C7H15N
SMILES
CC1CCC(N1)(C)C
InChI
InChI=1S/C7H15N/c1-6-4-5-7(2,3)8-6/h6,8H,4-5H2,1-3H3
InChIKey
KYJPHSGZNHRHDB-UHFFFAOYSA-N
Compound name
2,2,5-trimethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

113.12045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 124.5
[M+Na]+ 136.10967 132.1
[M-H]- 112.11317 125.4
[M+NH4]+ 131.15427 149.3
[M+K]+ 152.08361 130.7
[M+H-H2O]+ 96.117710 120.0
[M+HCOO]- 158.11865 144.8
[M+CH3COO]- 172.13430 166.9
[M+Na-2H]- 134.09512 129.4
[M]+ 113.11990 120.7
[M]- 113.12100 120.7
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