CID 61056221

2-amino-2-(3,4-dimethylphenyl)propan-1-ol

Structural Information

Molecular Formula
C11H17NO
SMILES
CC1=C(C=C(C=C1)C(C)(CO)N)C
InChI
InChI=1S/C11H17NO/c1-8-4-5-10(6-9(8)2)11(3,12)7-13/h4-6,13H,7,12H2,1-3H3
InChIKey
BHCZJYXQRPDUPF-UHFFFAOYSA-N
Compound name
2-amino-2-(3,4-dimethylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.138286 140.9
[M+Na]+ 202.120228 148.5
[M-H]- 178.123734 143.2
[M+NH4]+ 197.164833 160.5
[M+K]+ 218.094168 145.8
[M+H-H2O]+ 162.128270 135.9
[M+HCOO]- 224.129211 162.3
[M+CH3COO]- 238.144861 183.6
[M+Na-2H]- 200.105676 146.0
[M]+ 179.13046142 139.6
[M]- 179.13155858 139.6
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

No patent data available for this compound.