CID 72472120

5-azaspiro[2.5]octan-7-ol

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CC12CC(CNC2)O
InChI
InChI=1S/C7H13NO/c9-6-3-7(1-2-7)5-8-4-6/h6,8-9H,1-5H2
InChIKey
PZVHOYQWDXQPIB-UHFFFAOYSA-N
Compound name
5-azaspiro[2.5]octan-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 130.5
[M+Na]+ 150.088938 138.4
[M-H]- 126.092444 132.9
[M+NH4]+ 145.133543 147.2
[M+K]+ 166.062878 135.9
[M+H-H2O]+ 110.096980 125.1
[M+HCOO]- 172.097921 147.5
[M+CH3COO]- 186.113571 168.3
[M+Na-2H]- 148.074386 137.6
[M]+ 127.09917142 126.2
[M]- 127.10026858 126.2
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