CID 16620

2,3,5-trimethyl-1h-pyrrole

Structural Information

Molecular Formula
C7H11N
SMILES
CC1=CC(=C(N1)C)C
InChI
InChI=1S/C7H11N/c1-5-4-6(2)8-7(5)3/h4,8H,1-3H3
InChIKey
VIDOWPWTFHJVID-UHFFFAOYSA-N
Compound name
2,3,5-trimethyl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

287
Patents

109.08915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 120.7
[M+Na]+ 132.07837 130.5
[M-H]- 108.08187 122.4
[M+NH4]+ 127.12297 144.1
[M+K]+ 148.05231 128.4
[M+H-H2O]+ 92.086410 115.8
[M+HCOO]- 154.08735 143.9
[M+CH3COO]- 168.10300 167.7
[M+Na-2H]- 130.06382 125.9
[M]+ 109.08860 120.0
[M]- 109.08970 120.0
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