CID 13619721

100351-03-9

Structural Information

Molecular Formula
C5H9N
SMILES
CC1=CCNC1
InChI
InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2,6H,3-4H2,1H3
InChIKey
DTPFSSOXQXWKEV-UHFFFAOYSA-N
Compound name
3-methyl-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

83.0735 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.9
[M+Na]+ 106.062718 122.5
[M-H]- 82.066224 115.8
[M+NH4]+ 101.107323 138.6
[M+K]+ 122.036658 121.3
[M+H-H2O]+ 66.070760 109.6
[M+HCOO]- 128.071701 137.3
[M+CH3COO]- 142.087351 159.8
[M+Na-2H]- 104.048166 121.5
[M]+ 83.07295142 111.2
[M]- 83.07404858 111.2
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