CID 295973

(2-methylpyrrolidin-3-yl)methanol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1C(CCN1)CO
InChI
InChI=1S/C6H13NO/c1-5-6(4-8)2-3-7-5/h5-8H,2-4H2,1H3
InChIKey
CSZHCNQZSJKZPA-UHFFFAOYSA-N
Compound name
(2-methylpyrrolidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

115.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 125.4
[M+Na]+ 138.088938 132.0
[M-H]- 114.092444 124.6
[M+NH4]+ 133.133543 147.2
[M+K]+ 154.062878 130.1
[M+H-H2O]+ 98.096980 120.2
[M+HCOO]- 160.097921 144.6
[M+CH3COO]- 174.113571 163.6
[M+Na-2H]- 136.074386 129.0
[M]+ 115.09917142 120.5
[M]- 115.10026858 120.5
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

No patent data available for this compound.