CID 137952179

2219371-07-8

Structural Information

Molecular Formula
C10H19NO
SMILES
C1CC2CCC1CC2(CN)CO
InChI
InChI=1S/C10H19NO/c11-6-10(7-12)5-8-1-3-9(10)4-2-8/h8-9,12H,1-7,11H2
InChIKey
PVVGISPGHQPFHV-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-2-bicyclo[2.2.2]octanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.14667 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 139.7
[M+Na]+ 192.135888 143.4
[M-H]- 168.139394 134.5
[M+NH4]+ 187.180493 165.4
[M+K]+ 208.109828 140.5
[M+H-H2O]+ 152.143930 135.7
[M+HCOO]- 214.144871 150.4
[M+CH3COO]- 228.160521 149.6
[M+Na-2H]- 190.121336 150.3
[M]+ 169.14612142 137.5
[M]- 169.14721858 137.5
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.