CID 71349963

Ns00116956

Structural Information

Molecular Formula
C11H17NO2
SMILES
CC1=C(C(=CC=C1)CO)OC[C@H](C)N
InChI
InChI=1S/C11H17NO2/c1-8-4-3-5-10(6-13)11(8)14-7-9(2)12/h3-5,9,13H,6-7,12H2,1-2H3/t9-/m0/s1
InChIKey
XMJYSMLLWRQQAE-VIFPVBQESA-N
Compound name
[2-[(2S)-2-aminopropoxy]-3-methylphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

72
Patents

195.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.13321 144.5
[M+Na]+ 218.11515 151.3
[M-H]- 194.11865 146.5
[M+NH4]+ 213.15975 163.1
[M+K]+ 234.08909 149.2
[M+H-H2O]+ 178.12319 138.6
[M+HCOO]- 240.12413 166.7
[M+CH3COO]- 254.13978 186.2
[M+Na-2H]- 216.10060 147.6
[M]+ 195.12538 144.5
[M]- 195.12648 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.