CID 80992

1,2,2,5,5-pentamethylpyrrolidine

Structural Information

Molecular Formula
C9H19N
SMILES
CC1(CCC(N1C)(C)C)C
InChI
InChI=1S/C9H19N/c1-8(2)6-7-9(3,4)10(8)5/h6-7H2,1-5H3
InChIKey
KGIFNEFQLJMDQJ-UHFFFAOYSA-N
Compound name
1,2,2,5,5-pentamethylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

141.15175 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.159026 128.2
[M+Na]+ 164.140968 137.3
[M-H]- 140.144474 131.1
[M+NH4]+ 159.185573 155.0
[M+K]+ 180.114908 136.6
[M+H-H2O]+ 124.149010 124.6
[M+HCOO]- 186.149951 149.5
[M+CH3COO]- 200.165601 176.6
[M+Na-2H]- 162.126416 133.5
[M]+ 141.15120142 127.9
[M]- 141.15229858 127.9
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

patents stripe