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
6
Annotation Hits

76
References

56969
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 116.9
[M+Na]+ 108.07837 127.6
[M+NH4]+ 103.12297 126.5
[M+K]+ 124.05231 123.2
[M-H]- 84.081874 118.3
[M+Na-2H]- 106.06382 122.5
[M]+ 85.088601 118.6
[M]- 85.089699 118.6
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