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
2
Annotation Hits

0
References

41
Patents

151.09972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 131.9
[M+Na]+ 174.088938 138.7
[M-H]- 150.092444 134.4
[M+NH4]+ 169.133543 152.3
[M+K]+ 190.062878 136.8
[M+H-H2O]+ 134.096980 126.4
[M+HCOO]- 196.097921 155.2
[M+CH3COO]- 210.113571 177.5
[M+Na-2H]- 172.074386 137.9
[M]+ 151.09917142 130.3
[M]- 151.10026858 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