CID 3795961

2-propylpyrrolidine

Structural Information

Molecular Formula
C7H15N
SMILES
CCCC1CCCN1
InChI
InChI=1S/C7H15N/c1-2-4-7-5-3-6-8-7/h7-8H,2-6H2,1H3
InChIKey
ICALDHCMXFGLBN-UHFFFAOYSA-N
Compound name
2-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

748
Patents

113.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.127726 126.5
[M+Na]+ 136.109668 132.1
[M-H]- 112.113174 126.6
[M+NH4]+ 131.154273 148.8
[M+K]+ 152.083608 130.7
[M+H-H2O]+ 96.117710 120.7
[M+HCOO]- 158.118651 146.7
[M+CH3COO]- 172.134301 166.2
[M+Na-2H]- 134.095116 130.8
[M]+ 113.11990142 122.0
[M]- 113.12099858 122.0
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