CID 136355

554-15-4

Structural Information

Molecular Formula
C5H9N
SMILES
CN1CC=CC1
InChI
InChI=1S/C5H9N/c1-6-4-2-3-5-6/h2-3H,4-5H2,1H3
InChIKey
AHVYPIQETPWLSZ-UHFFFAOYSA-N
Compound name
1-methyl-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37012
Patents

83.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.0
[M+Na]+ 106.06272 122.0
[M-H]- 82.066224 116.2
[M+NH4]+ 101.10732 138.4
[M+K]+ 122.03666 121.8
[M+H-H2O]+ 66.070760 108.5
[M+HCOO]- 128.07170 137.8
[M+CH3COO]- 142.08735 162.6
[M+Na-2H]- 104.04817 121.0
[M]+ 83.072951 112.2
[M]- 83.074049 112.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe