CID 165729375

2825005-21-6

Structural Information

Molecular Formula
C6H13NO3
SMILES
C1COCC(CN1)(CO)O
InChI
InChI=1S/C6H13NO3/c8-4-6(9)3-7-1-2-10-5-6/h7-9H,1-5H2
InChIKey
XOVRYZFYAUOIHN-UHFFFAOYSA-N
Compound name
6-(hydroxymethyl)-1,4-oxazepan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08954 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.096816 126.5
[M+Na]+ 170.078758 129.6
[M-H]- 146.082264 125.9
[M+NH4]+ 165.123363 143.2
[M+K]+ 186.052698 133.0
[M+H-H2O]+ 130.086800 120.9
[M+HCOO]- 192.087741 140.9
[M+CH3COO]- 206.103391 166.7
[M+Na-2H]- 168.064206 133.4
[M]+ 147.08899142 118.1
[M]- 147.09008858 118.1
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.