CID 11495842

894079-42-6

Structural Information

Molecular Formula
C9H13NO
SMILES
C[C@@H](C1=CC(=CC=C1)O)NC
InChI
InChI=1S/C9H13NO/c1-7(10-2)8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3/t7-/m0/s1
InChIKey
AEOMELCUDZBIFY-ZETCQYMHSA-N
Compound name
3-[(1S)-1-(methylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.9
[M+Na]+ 174.08894 138.7
[M-H]- 150.09244 134.4
[M+NH4]+ 169.13354 152.3
[M+K]+ 190.06288 136.8
[M+H-H2O]+ 134.09698 126.4
[M+HCOO]- 196.09792 155.2
[M+CH3COO]- 210.11357 177.5
[M+Na-2H]- 172.07439 137.9
[M]+ 151.09917 130.3
[M]- 151.10027 130.3
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