CID 353443

2-methoxy-1-pyrroline

Structural Information

Molecular Formula
C5H9NO
SMILES
COC1=NCCC1
InChI
InChI=1S/C5H9NO/c1-7-5-3-2-4-6-5/h2-4H2,1H3
InChIKey
QYGNDKJRRNVSEC-UHFFFAOYSA-N
Compound name
5-methoxy-3,4-dihydro-2H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

464
Patents

99.06841 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 117.4
[M+Na]+ 122.05763 125.4
[M-H]- 98.061134 119.7
[M+NH4]+ 117.10223 141.2
[M+K]+ 138.03157 125.7
[M+H-H2O]+ 82.065670 111.7
[M+HCOO]- 144.06661 141.5
[M+CH3COO]- 158.08226 163.8
[M+Na-2H]- 120.04308 124.4
[M]+ 99.067861 117.0
[M]- 99.068959 117.0
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