CID 442651

(6s,7r)-2-azaspiro[5.5]undecan-7-ol

Structural Information

Molecular Formula
C10H19NO
SMILES
C1CC[C@@]2(CCCNC2)[C@@H](C1)O
InChI
InChI=1S/C10H19NO/c12-9-4-1-2-5-10(9)6-3-7-11-8-10/h9,11-12H,1-8H2/t9-,10+/m1/s1
InChIKey
POCJOGNVFHPZNS-ZJUUUORDSA-N
Compound name
(6S,11R)-2-azaspiro[5.5]undecan-11-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

147
References

5088
Patents

169.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 141.4
[M+Na]+ 192.135888 144.3
[M-H]- 168.139394 141.4
[M+NH4]+ 187.180493 160.8
[M+K]+ 208.109828 141.3
[M+H-H2O]+ 152.143930 135.0
[M+HCOO]- 214.144871 154.2
[M+CH3COO]- 228.160521 171.5
[M+Na-2H]- 190.121336 146.0
[M]+ 169.14612142 129.7
[M]- 169.14721858 129.7
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