CID 90658302

2-methyl-3-pentyl-4,5-dihydro-3h-pyrrole

Structural Information

Molecular Formula
C10H19N
SMILES
CCCCCC1CCN=C1C
InChI
InChI=1S/C10H19N/c1-3-4-5-6-10-7-8-11-9(10)2/h10H,3-8H2,1-2H3
InChIKey
SYVGKQQCYXDCKB-UHFFFAOYSA-N
Compound name
5-methyl-4-pentyl-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

153.15175 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.159026 136.7
[M+Na]+ 176.140968 143.5
[M-H]- 152.144474 138.4
[M+NH4]+ 171.185573 158.6
[M+K]+ 192.114908 141.9
[M+H-H2O]+ 136.149010 130.5
[M+HCOO]- 198.149951 158.9
[M+CH3COO]- 212.165601 178.8
[M+Na-2H]- 174.126416 140.3
[M]+ 153.15120142 137.1
[M]- 153.15229858 137.1
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

No patent data available for this compound.