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

18
Patents

145.11028 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 130.9
[M+Na]+ 168.099498 135.6
[M-H]- 144.103004 133.2
[M+NH4]+ 163.144103 151.7
[M+K]+ 184.073438 136.1
[M+H-H2O]+ 128.107540 126.1
[M+HCOO]- 190.108481 150.8
[M+CH3COO]- 204.124131 172.1
[M+Na-2H]- 166.084946 139.1
[M]+ 145.10973142 126.9
[M]- 145.11082858 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