CID 125451520

{1-azaspiro[3.3]heptan-6-yl}methanol

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CNC12CC(C2)CO
InChI
InChI=1S/C7H13NO/c9-5-6-3-7(4-6)1-2-8-7/h6,8-9H,1-5H2
InChIKey
YHTCMWSBMHNDTQ-UHFFFAOYSA-N
Compound name
1-azaspiro[3.3]heptan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 121.9
[M+Na]+ 150.08894 126.2
[M-H]- 126.09244 123.6
[M+NH4]+ 145.13354 130.3
[M+K]+ 166.06288 129.7
[M+H-H2O]+ 110.09698 109.0
[M+HCOO]- 172.09792 137.3
[M+CH3COO]- 186.11357 179.9
[M+Na-2H]- 148.07439 128.4
[M]+ 127.09917 133.9
[M]- 127.10027 133.9
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.