CID 139343385

(2,5-dioxa-8-azaspiro[3.5]nonan-6-yl)methanol

Structural Information

Molecular Formula
C7H13NO3
SMILES
C1C(OC2(CN1)COC2)CO
InChI
InChI=1S/C7H13NO3/c9-2-6-1-8-3-7(11-6)4-10-5-7/h6,8-9H,1-5H2
InChIKey
BTRQGJGGAYKPFW-UHFFFAOYSA-N
Compound name
2,5-dioxa-8-azaspiro[3.5]nonan-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

159.08954 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 126.5
[M+Na]+ 182.07876 130.6
[M-H]- 158.08226 128.8
[M+NH4]+ 177.12336 137.6
[M+K]+ 198.05270 134.6
[M+H-H2O]+ 142.08680 116.3
[M+HCOO]- 204.08774 140.4
[M+CH3COO]- 218.10339 172.0
[M+Na-2H]- 180.06421 135.2
[M]+ 159.08899 130.8
[M]- 159.09009 130.8
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