CID 7304

1-methylpyrrole

Structural Information

Molecular Formula
C5H7N
SMILES
CN1C=CC=C1
InChI
InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3
InChIKey
OXHNLMTVIGZXSG-UHFFFAOYSA-N
Compound name
1-methylpyrrole
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

125
References

39752
Patents

81.057846 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 111.7
[M+Na]+ 104.04706 120.8
[M-H]- 80.050570 114.3
[M+NH4]+ 99.091669 136.3
[M+K]+ 120.02100 120.4
[M+H-H2O]+ 64.055106 106.3
[M+HCOO]- 126.05605 137.0
[M+CH3COO]- 140.07170 162.2
[M+Na-2H]- 102.03251 119.8
[M]+ 81.057297 111.4
[M]- 81.058395 111.4
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