CID 70260

1,2,5-trimethylpyrrole

Structural Information

Molecular Formula
C7H11N
SMILES
CC1=CC=C(N1C)C
InChI
InChI=1S/C7H11N/c1-6-4-5-7(2)8(6)3/h4-5H,1-3H3
InChIKey
YRABRACUKBOTKB-UHFFFAOYSA-N
Compound name
1,2,5-trimethylpyrrole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

879
Patents

109.08915 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.09643 119.6
[M+Na]+ 132.07837 129.8
[M-H]- 108.08187 122.7
[M+NH4]+ 127.12297 143.8
[M+K]+ 148.05231 128.8
[M+H-H2O]+ 92.086410 114.5
[M+HCOO]- 154.08735 144.3
[M+CH3COO]- 168.10300 170.4
[M+Na-2H]- 130.06382 125.4
[M]+ 109.08860 120.8
[M]- 109.08970 120.8
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