CID 82651409

[3-(aminomethyl)oxan-3-yl]methanol

Structural Information

Molecular Formula
C7H15NO2
SMILES
C1CC(COC1)(CN)CO
InChI
InChI=1S/C7H15NO2/c8-4-7(5-9)2-1-3-10-6-7/h9H,1-6,8H2
InChIKey
KAALOZPBBZWIRR-UHFFFAOYSA-N
Compound name
[3-(aminomethyl)oxan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.11028 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 131.5
[M+Na]+ 168.099498 136.3
[M-H]- 144.103004 133.3
[M+NH4]+ 163.144103 152.1
[M+K]+ 184.073438 136.4
[M+H-H2O]+ 128.107540 126.7
[M+HCOO]- 190.108481 150.7
[M+CH3COO]- 204.124131 171.5
[M+Na-2H]- 166.084946 138.6
[M]+ 145.10973142 126.6
[M]- 145.11082858 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

No patent data available for this compound.