CID 141290

2503208-14-6

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CN2CCC1(CC2)O
InChI
InChI=1S/C7H13NO/c9-7-1-4-8(5-2-7)6-3-7/h9H,1-6H2
InChIKey
RQRSQXFVRUWISR-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

127.09972 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 126.7
[M+Na]+ 150.088938 131.6
[M-H]- 126.092444 121.0
[M+NH4]+ 145.133543 153.1
[M+K]+ 166.062878 129.7
[M+H-H2O]+ 110.096980 122.0
[M+HCOO]- 172.097921 137.0
[M+CH3COO]- 186.113571 137.6
[M+Na-2H]- 148.074386 140.1
[M]+ 127.09917142 125.3
[M]- 127.10026858 125.3
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