CID 522490

1-propylpyrrolidine

Structural Information

Molecular Formula
C7H15N
SMILES
CCCN1CCCC1
InChI
InChI=1S/C7H15N/c1-2-5-8-6-3-4-7-8/h2-7H2,1H3
InChIKey
HLNRRPIYRBBHSQ-UHFFFAOYSA-N
Compound name
1-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4075
Patents

113.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.12773 125.8
[M+Na]+ 136.10967 136.1
[M+NH4]+ 131.15427 135.1
[M+K]+ 152.08361 131.2
[M-H]- 112.11317 127.1
[M+Na-2H]- 134.09512 130.8
[M]+ 113.11990 127.4
[M]- 113.12100 127.4
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