CID 8454

1-methylpyrrolidine

Structural Information

Molecular Formula
C5H11N
SMILES
CN1CCCC1
InChI
InChI=1S/C5H11N/c1-6-4-2-3-5-6/h2-5H2,1H3
InChIKey
AVFZOVWCLRSYKC-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

76
References

77128
Patents

85.08915 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.096426 116.4
[M+Na]+ 108.07837 123.3
[M-H]- 84.081874 118.2
[M+NH4]+ 103.12297 140.5
[M+K]+ 124.05231 123.4
[M+H-H2O]+ 68.086410 110.8
[M+HCOO]- 130.08735 138.7
[M+CH3COO]- 144.10300 162.9
[M+Na-2H]- 106.06382 122.3
[M]+ 85.088601 113.1
[M]- 85.089699 113.1
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