CID 22419314

(+)-2,3-dihydro-3-methyl-1h-pyrrole

Structural Information

Molecular Formula
C5H9N
SMILES
CC1CNC=C1
InChI
InChI=1S/C5H9N/c1-5-2-3-6-4-5/h2-3,5-6H,4H2,1H3
InChIKey
VLBGIFUKQYTZCN-UHFFFAOYSA-N
Compound name
3-methyl-2,3-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

83.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.9
[M+Na]+ 106.06272 122.5
[M-H]- 82.066224 115.8
[M+NH4]+ 101.10732 138.6
[M+K]+ 122.03666 121.3
[M+H-H2O]+ 66.070760 109.6
[M+HCOO]- 128.07170 137.3
[M+CH3COO]- 142.08735 159.8
[M+Na-2H]- 104.04817 121.5
[M]+ 83.072951 111.2
[M]- 83.074049 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