CID 15406632

151851-75-1

Structural Information

Molecular Formula
C8H19NO
SMILES
CCCC[C@](CC)(CO)N
InChI
InChI=1S/C8H19NO/c1-3-5-6-8(9,4-2)7-10/h10H,3-7,9H2,1-2H3/t8-/m1/s1
InChIKey
AQVAKYWHEGYKEE-MRVPVSSYSA-N
Compound name
(2R)-2-amino-2-ethylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

145.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.153946 136.3
[M+Na]+ 168.135888 141.9
[M-H]- 144.139394 134.5
[M+NH4]+ 163.180493 156.8
[M+K]+ 184.109828 140.6
[M+H-H2O]+ 128.143930 132.0
[M+HCOO]- 190.144871 157.0
[M+CH3COO]- 204.160521 177.0
[M+Na-2H]- 166.121336 141.5
[M]+ 145.14612142 135.5
[M]- 145.14721858 135.5
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