CID 578992

3,4-diethyl-2-methyl-1h-pyrrole

Structural Information

Molecular Formula
C9H15N
SMILES
CCC1=CNC(=C1CC)C
InChI
InChI=1S/C9H15N/c1-4-8-6-10-7(3)9(8)5-2/h6,10H,4-5H2,1-3H3
InChIKey
BFAJXGPKXUFZGX-UHFFFAOYSA-N
Compound name
3,4-diethyl-2-methyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

137.12045 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.127726 130.1
[M+Na]+ 160.109668 139.0
[M-H]- 136.113174 131.4
[M+NH4]+ 155.154273 152.4
[M+K]+ 176.083608 136.4
[M+H-H2O]+ 120.117710 124.7
[M+HCOO]- 182.118651 152.6
[M+CH3COO]- 196.134301 173.7
[M+Na-2H]- 158.095116 134.1
[M]+ 137.11990142 130.1
[M]- 137.12099858 130.1
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.