CID 22379474

(4-(aminomethyl)tetrahydro-2h-pyran-4-yl)methanol

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1COCCC1(CN)CO
InChI
InChI=1S/C7H15NO2/c8-5-7(6-9)1-3-10-4-2-7/h9H,1-6,8H2
InChIKey
HVINWRIEIUOYJJ-UHFFFAOYSA-N
Compound name
[4-(aminomethyl)oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 131.5
[M+Na]+ 168.09950 136.3
[M-H]- 144.10300 133.3
[M+NH4]+ 163.14410 152.1
[M+K]+ 184.07344 136.4
[M+H-H2O]+ 128.10754 126.7
[M+HCOO]- 190.10848 150.7
[M+CH3COO]- 204.12413 171.5
[M+Na-2H]- 166.08495 138.6
[M]+ 145.10973 126.6
[M]- 145.11083 126.6
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