CID 84731058

5,5-dimethylpyrrolidin-3-ol

Structural Information

Molecular Formula
C6H13NO
SMILES
CC1(CC(CN1)O)C
InChI
InChI=1S/C6H13NO/c1-6(2)3-5(8)4-7-6/h5,7-8H,3-4H2,1-2H3
InChIKey
HFTIGFBKBVCGPD-UHFFFAOYSA-N
Compound name
5,5-dimethylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 124.3
[M+Na]+ 138.088938 131.8
[M-H]- 114.092444 124.0
[M+NH4]+ 133.133543 148.2
[M+K]+ 154.062878 130.2
[M+H-H2O]+ 98.096980 120.1
[M+HCOO]- 160.097921 143.5
[M+CH3COO]- 174.113571 163.1
[M+Na-2H]- 136.074386 129.2
[M]+ 115.09917142 119.7
[M]- 115.10026858 119.7
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