CID 3082128

2-methyl-3-pentyl-1h-pyrrole

Structural Information

Molecular Formula
C10H17N
SMILES
CCCCCC1=C(NC=C1)C
InChI
InChI=1S/C10H17N/c1-3-4-5-6-10-7-8-11-9(10)2/h7-8,11H,3-6H2,1-2H3
InChIKey
PEWCJTLDYTZPGN-UHFFFAOYSA-N
Compound name
2-methyl-3-pentyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

11
Patents

151.1361 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.14338 135.4
[M+Na]+ 174.12532 142.8
[M-H]- 150.12882 136.1
[M+NH4]+ 169.16992 156.7
[M+K]+ 190.09926 140.0
[M+H-H2O]+ 134.13336 129.4
[M+HCOO]- 196.13430 157.5
[M+CH3COO]- 210.14995 175.7
[M+Na-2H]- 172.11077 139.5
[M]+ 151.13555 135.3
[M]- 151.13665 135.3
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