CID 102330434

196611-19-5

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=C(C(=CC=C1)C(C)O)N
InChI
InChI=1S/C9H13NO/c1-6-4-3-5-8(7(2)11)9(6)10/h3-5,7,11H,10H2,1-2H3
InChIKey
RNQMERCPVXXHIB-UHFFFAOYSA-N
Compound name
1-(2-amino-3-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

151.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.106996 132.1
[M+Na]+ 174.088938 139.9
[M-H]- 150.092444 134.5
[M+NH4]+ 169.133543 152.6
[M+K]+ 190.062878 137.7
[M+H-H2O]+ 134.096980 126.9
[M+HCOO]- 196.097921 154.8
[M+CH3COO]- 210.113571 178.0
[M+Na-2H]- 172.074386 136.3
[M]+ 151.09917142 129.9
[M]- 151.10026858 129.9
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