CID 445892

139306-10-8

Structural Information

Molecular Formula
C10H15NO
SMILES
C[C@@H](C1=CC(=CC=C1)O)N(C)C
InChI
InChI=1S/C10H15NO/c1-8(11(2)3)9-5-4-6-10(12)7-9/h4-8,12H,1-3H3/t8-/m0/s1
InChIKey
GQZXRLWUYONVCP-QMMMGPOBSA-N
Compound name
3-[(1S)-1-(dimethylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

2106
Patents

165.11537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.2
[M+Na]+ 188.10459 142.7
[M-H]- 164.10809 140.1
[M+NH4]+ 183.14919 156.7
[M+K]+ 204.07853 142.1
[M+H-H2O]+ 148.11263 130.4
[M+HCOO]- 210.11357 159.7
[M+CH3COO]- 224.12922 184.1
[M+Na-2H]- 186.09004 141.0
[M]+ 165.11482 136.3
[M]- 165.11592 136.3
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

patents stripe