CID 22393542

3-methyl-3-propylpyrrolidine

Structural Information

Molecular Formula
C8H17N
SMILES
CCCC1(CCNC1)C
InChI
InChI=1S/C8H17N/c1-3-4-8(2)5-6-9-7-8/h9H,3-7H2,1-2H3
InChIKey
REZXABLSYGVZHO-UHFFFAOYSA-N
Compound name
3-methyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 130.1
[M+Na]+ 150.12532 136.2
[M-H]- 126.12882 130.4
[M+NH4]+ 145.16992 153.9
[M+K]+ 166.09926 134.6
[M+H-H2O]+ 110.13336 125.0
[M+HCOO]- 172.13430 149.9
[M+CH3COO]- 186.14995 168.8
[M+Na-2H]- 148.11077 135.0
[M]+ 127.13555 126.2
[M]- 127.13665 126.2
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