CID 93074

1-methyl-3-pyrrolidinol

Structural Information

Molecular Formula
C5H11NO
SMILES
CN1CCC(C1)O
InChI
InChI=1S/C5H11NO/c1-6-3-2-5(7)4-6/h5,7H,2-4H2,1H3
InChIKey
FLVFPAIGVBQGET-UHFFFAOYSA-N
Compound name
1-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

5012
Patents

101.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 119.8
[M+Na]+ 124.07328 127.3
[M-H]- 100.07678 120.7
[M+NH4]+ 119.11788 142.9
[M+K]+ 140.04722 126.7
[M+H-H2O]+ 84.081320 114.6
[M+HCOO]- 146.08226 140.9
[M+CH3COO]- 160.09791 163.2
[M+Na-2H]- 122.05873 124.6
[M]+ 101.08351 116.5
[M]- 101.08461 116.5
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