CID 71349963

175660-79-4

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

49
Patents

195.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.133206 144.5
[M+Na]+ 218.115148 151.3
[M-H]- 194.118654 146.5
[M+NH4]+ 213.159753 163.1
[M+K]+ 234.089088 149.2
[M+H-H2O]+ 178.123190 138.6
[M+HCOO]- 240.124131 166.7
[M+CH3COO]- 254.139781 186.2
[M+Na-2H]- 216.100596 147.6
[M]+ 195.12538142 144.5
[M]- 195.12647858 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.