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

10
Patents

165.11537 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 137.1
[M+Na]+ 188.104588 143.5
[M-H]- 164.108094 138.9
[M+NH4]+ 183.149193 156.7
[M+K]+ 204.078528 141.0
[M+H-H2O]+ 148.112630 131.5
[M+HCOO]- 210.113571 159.5
[M+CH3COO]- 224.129221 179.9
[M+Na-2H]- 186.090036 141.5
[M]+ 165.11482142 134.9
[M]- 165.11591858 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