CID 69847

1,2,3,4,5-pentamethyl-1h-pyrrole

Structural Information

Molecular Formula
C9H15N
SMILES
CC1=C(N(C(=C1C)C)C)C
InChI
InChI=1S/C9H15N/c1-6-7(2)9(4)10(5)8(6)3/h1-5H3
InChIKey
IQBFHKGECNYUMS-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentamethylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

296
Patents

137.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.12773 127.1
[M+Na]+ 160.10967 138.4
[M-H]- 136.11317 130.7
[M+NH4]+ 155.15427 150.9
[M+K]+ 176.08361 136.8
[M+H-H2O]+ 120.11771 122.4
[M+HCOO]- 182.11865 151.2
[M+CH3COO]- 196.13430 178.8
[M+Na-2H]- 158.09512 130.6
[M]+ 137.11990 129.9
[M]- 137.12100 129.9
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