CID 70781

6321-11-5

Structural Information

Molecular Formula
C10H15NO
SMILES
CC1=CC(=C(C=C1N)C(C)C)O
InChI
InChI=1S/C10H15NO/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6,12H,11H2,1-3H3
InChIKey
RGRUKJFIPJHWNL-UHFFFAOYSA-N
Compound name
4-amino-5-methyl-2-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

56
Patents

165.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.12265 136.2
[M+Na]+ 188.10459 144.5
[M-H]- 164.10809 138.9
[M+NH4]+ 183.14919 156.5
[M+K]+ 204.07853 142.2
[M+H-H2O]+ 148.11263 131.1
[M+HCOO]- 210.11357 158.6
[M+CH3COO]- 224.12922 182.3
[M+Na-2H]- 186.09004 139.2
[M]+ 165.11482 134.8
[M]- 165.11592 134.8
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