CID 62775075

4-[(methylamino)methyl]oxan-4-ol hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CNCC1(CCOCC1)O
InChI
InChI=1S/C7H15NO2/c1-8-6-7(9)2-4-10-5-3-7/h8-9H,2-6H2,1H3
InChIKey
LJGNILVBYKINHG-UHFFFAOYSA-N
Compound name
4-(methylaminomethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

145.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 130.9
[M+Na]+ 168.09950 135.6
[M-H]- 144.10300 133.2
[M+NH4]+ 163.14410 151.7
[M+K]+ 184.07344 136.1
[M+H-H2O]+ 128.10754 126.1
[M+HCOO]- 190.10848 150.8
[M+CH3COO]- 204.12413 172.1
[M+Na-2H]- 166.08495 139.1
[M]+ 145.10973 126.9
[M]- 145.11083 126.9
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