CID 37044

2-amino-1-(4-methylphenyl)propan-1-ol

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC=C(C=C1)C(C(C)N)O
InChI
InChI=1S/C10H15NO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8,10,12H,11H2,1-2H3
InChIKey
HYFSOKGGCDALKV-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

165.11537 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.122646 137.5
[M+Na]+ 188.104588 143.6
[M-H]- 164.108094 139.4
[M+NH4]+ 183.149193 157.0
[M+K]+ 204.078528 141.7
[M+H-H2O]+ 148.112630 132.0
[M+HCOO]- 210.113571 158.9
[M+CH3COO]- 224.129221 180.8
[M+Na-2H]- 186.090036 140.6
[M]+ 165.11482142 134.7
[M]- 165.11591858 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe