CID 330042

91339-74-1

Structural Information

Molecular Formula
C11H17NO
SMILES
CCC(C)(C)C1=CC(=C(C=C1)O)N
InChI
InChI=1S/C11H17NO/c1-4-11(2,3)8-5-6-10(13)9(12)7-8/h5-7,13H,4,12H2,1-3H3
InChIKey
APOFDNKYFPDSLE-UHFFFAOYSA-N
Compound name
2-amino-4-(2-methylbutan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

686
Patents

179.13101 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe