CID 79127291

2-[4-(aminomethyl)oxan-4-yl]propan-2-ol

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)(C1(CCOCC1)CN)O
InChI
InChI=1S/C9H19NO2/c1-8(2,11)9(7-10)3-5-12-6-4-9/h11H,3-7,10H2,1-2H3
InChIKey
LEDSXPRTQQWZHI-UHFFFAOYSA-N
Compound name
2-[4-(aminomethyl)oxan-4-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.148866 140.0
[M+Na]+ 196.130808 144.4
[M-H]- 172.134314 141.7
[M+NH4]+ 191.175413 159.6
[M+K]+ 212.104748 144.5
[M+H-H2O]+ 156.138850 135.6
[M+HCOO]- 218.139791 157.1
[M+CH3COO]- 232.155441 177.9
[M+Na-2H]- 194.116256 147.0
[M]+ 173.14104142 135.4
[M]- 173.14213858 135.4
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.