CID 12648198

3-propylpyrrolidine

Structural Information

Molecular Formula
C7H15N
SMILES
CCCC1CCNC1
InChI
InChI=1S/C7H15N/c1-2-3-7-4-5-8-6-7/h7-8H,2-6H2,1H3
InChIKey
RKFKEXKTXWGBCN-UHFFFAOYSA-N
Compound name
3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
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 126.5
[M+Na]+ 136.10967 132.1
[M-H]- 112.11317 126.6
[M+NH4]+ 131.15427 148.8
[M+K]+ 152.08361 130.7
[M+H-H2O]+ 96.117710 120.7
[M+HCOO]- 158.11865 146.7
[M+CH3COO]- 172.13430 166.2
[M+Na-2H]- 134.09512 130.8
[M]+ 113.11990 122.0
[M]- 113.12100 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

No literature data available for this compound.

Patent stripe

patents stripe