CID 84073344

(1,4-oxazepan-5-yl)methanol hydrochloride

Structural Information

Molecular Formula
C6H13NO2
SMILES
C1COCCNC1CO
InChI
InChI=1S/C6H13NO2/c8-5-6-1-3-9-4-2-7-6/h6-8H,1-5H2
InChIKey
HUPFJWFGYHJGTN-UHFFFAOYSA-N
Compound name
1,4-oxazepan-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 122.4
[M+Na]+ 154.08386 125.2
[M-H]- 130.08736 122.9
[M+NH4]+ 149.12846 138.7
[M+K]+ 170.05780 129.1
[M+H-H2O]+ 114.09190 116.5
[M+HCOO]- 176.09284 138.2
[M+CH3COO]- 190.10849 167.5
[M+Na-2H]- 152.06931 128.9
[M]+ 131.09409 114.2
[M]- 131.09519 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

No patent data available for this compound.