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]+ 174.14887 140.0
[M+Na]+ 196.13081 144.4
[M-H]- 172.13431 141.7
[M+NH4]+ 191.17541 159.6
[M+K]+ 212.10475 144.5
[M+H-H2O]+ 156.13885 135.6
[M+HCOO]- 218.13979 157.1
[M+CH3COO]- 232.15544 177.9
[M+Na-2H]- 194.11626 147.0
[M]+ 173.14104 135.4
[M]- 173.14214 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.