CID 19883347

4-methylpyrrolidin-3-ol

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1CNCC1O
InChI
InChI=1S/C5H11NO/c1-4-2-6-3-5(4)7/h4-7H,2-3H2,1H3
InChIKey
PTYCBNUHKXMSSA-UHFFFAOYSA-N
Compound name
4-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

101.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 120.8
[M+Na]+ 124.073278 127.8
[M-H]- 100.076784 120.2
[M+NH4]+ 119.117883 143.2
[M+K]+ 140.047218 126.3
[M+H-H2O]+ 84.081320 115.8
[M+HCOO]- 146.082261 140.3
[M+CH3COO]- 160.097911 160.5
[M+Na-2H]- 122.058726 125.0
[M]+ 101.08351142 115.5
[M]- 101.08460858 115.5
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