CID 84072858

{5-azaspiro[2.3]hexan-1-yl}methanol

Structural Information

Molecular Formula
C6H11NO
SMILES
C1C(C12CNC2)CO
InChI
InChI=1S/C6H11NO/c8-2-5-1-6(5)3-7-4-6/h5,7-8H,1-4H2
InChIKey
SWJYMWRXNKLXAM-UHFFFAOYSA-N
Compound name
5-azaspiro[2.3]hexan-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 124.3
[M+Na]+ 136.073278 132.6
[M-H]- 112.076784 127.3
[M+NH4]+ 131.117883 135.8
[M+K]+ 152.047218 132.9
[M+H-H2O]+ 96.081320 115.1
[M+HCOO]- 158.082261 142.6
[M+CH3COO]- 172.097911 170.7
[M+Na-2H]- 134.058726 132.0
[M]+ 113.08351142 131.6
[M]- 113.08460858 131.6
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.