CID 70103

2-methyl-1-pyrroline

Structural Information

Molecular Formula
C5H9N
SMILES
CC1=NCCC1
InChI
InChI=1S/C5H9N/c1-5-3-2-4-6-5/h2-4H2,1H3
InChIKey
CTSZPNIMMLSKDV-UHFFFAOYSA-N
Compound name
5-methyl-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

3067
Patents

83.0735 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 114.0
[M+Na]+ 106.062718 122.0
[M-H]- 82.066224 116.2
[M+NH4]+ 101.107323 138.4
[M+K]+ 122.036658 121.8
[M+H-H2O]+ 66.070760 108.5
[M+HCOO]- 128.071701 137.8
[M+CH3COO]- 142.087351 162.6
[M+Na-2H]- 104.048166 121.0
[M]+ 83.07295142 112.2
[M]- 83.07404858 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

literature stripe

Patent stripe

patents stripe