CID 21319071

1-amino-3-(2-methylphenyl)propan-2-ol hydrochloride

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC=CC=C1CC(CN)O
InChI
InChI=1S/C10H15NO/c1-8-4-2-3-5-9(8)6-10(12)7-11/h2-5,10,12H,6-7,11H2,1H3
InChIKey
XGEFHNQBAUWVIP-UHFFFAOYSA-N
Compound name
1-amino-3-(2-methylphenyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 137.1
[M+Na]+ 188.10459 143.5
[M-H]- 164.10809 138.9
[M+NH4]+ 183.14919 156.7
[M+K]+ 204.07853 141.0
[M+H-H2O]+ 148.11263 131.5
[M+HCOO]- 210.11357 159.5
[M+CH3COO]- 224.12922 179.9
[M+Na-2H]- 186.09004 141.5
[M]+ 165.11482 134.9
[M]- 165.11592 134.9
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