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]+ 148.09682 126.5
[M+Na]+ 170.07876 129.6
[M-H]- 146.08226 125.9
[M+NH4]+ 165.12336 143.2
[M+K]+ 186.05270 133.0
[M+H-H2O]+ 130.08680 120.9
[M+HCOO]- 192.08774 140.9
[M+CH3COO]- 206.10339 166.7
[M+Na-2H]- 168.06421 133.4
[M]+ 147.08899 118.1
[M]- 147.09009 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.