CID 107197

2-methylquinuclidin-3-ol

Structural Information

Molecular Formula
C8H15NO
SMILES
CC1C(C2CCN1CC2)O
InChI
InChI=1S/C8H15NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-8,10H,2-5H2,1H3
InChIKey
VLJPCCPJHQAAQB-UHFFFAOYSA-N
Compound name
2-methyl-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

86
Patents

141.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 130.7
[M+Na]+ 164.104588 135.8
[M-H]- 140.108094 125.1
[M+NH4]+ 159.149193 155.1
[M+K]+ 180.078528 133.9
[M+H-H2O]+ 124.112630 126.4
[M+HCOO]- 186.113571 140.6
[M+CH3COO]- 200.129221 141.5
[M+Na-2H]- 162.090036 141.4
[M]+ 141.11482142 130.1
[M]- 141.11591858 130.1
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