CID 14578458

3-methylpyrrolidin-3-ol

Structural Information

Molecular Formula
C5H11NO
SMILES
CC1(CCNC1)O
InChI
InChI=1S/C5H11NO/c1-5(7)2-3-6-4-5/h6-7H,2-4H2,1H3
InChIKey
ILBDVRCFTYQLOE-UHFFFAOYSA-N
Compound name
3-methylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

871
Patents

101.08406 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.09134 120.7
[M+Na]+ 124.07328 127.6
[M-H]- 100.07678 120.1
[M+NH4]+ 119.11788 144.7
[M+K]+ 140.04722 126.2
[M+H-H2O]+ 84.081320 116.2
[M+HCOO]- 146.08226 140.2
[M+CH3COO]- 160.09791 159.0
[M+Na-2H]- 122.05873 126.7
[M]+ 101.08351 115.3
[M]- 101.08461 115.3
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