CID 21617127

126272-90-0

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)C1=CC(=C(C=C1)N)C(=O)C
InChI
InChI=1S/C11H15NO/c1-7(2)9-4-5-11(12)10(6-9)8(3)13/h4-7H,12H2,1-3H3
InChIKey
PAYYTXVLAFZGDH-UHFFFAOYSA-N
Compound name
1-(2-amino-5-propan-2-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

177.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.4
[M+Na]+ 200.10459 146.8
[M-H]- 176.10809 143.0
[M+NH4]+ 195.14919 159.5
[M+K]+ 216.07853 145.0
[M+H-H2O]+ 160.11263 133.8
[M+HCOO]- 222.11357 162.2
[M+CH3COO]- 236.12922 186.7
[M+Na-2H]- 198.09004 141.9
[M]+ 177.11482 138.5
[M]- 177.11592 138.5
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