CID 83672275

1,4-oxazepan-7-ylmethanol

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1CNCCOC1CO
InChI
InChI=1S/C6H13NO2/c8-5-6-1-2-7-3-4-9-6/h6-8H,1-5H2
InChIKey
CRCFUJCNHFVZDC-UHFFFAOYSA-N
Compound name
1,4-oxazepan-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.101916 122.4
[M+Na]+ 154.083858 125.2
[M-H]- 130.087364 122.9
[M+NH4]+ 149.128463 138.7
[M+K]+ 170.057798 129.1
[M+H-H2O]+ 114.091900 116.5
[M+HCOO]- 176.092841 138.2
[M+CH3COO]- 190.108491 167.5
[M+Na-2H]- 152.069306 128.9
[M]+ 131.09409142 114.2
[M]- 131.09518858 114.2
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