CID 16776073

4-[(tert-butylamino)methyl]phenol hydrochloride

Structural Information

Molecular Formula
C11H17NO
SMILES
CC(C)(C)NCC1=CC=C(C=C1)O
InChI
InChI=1S/C11H17NO/c1-11(2,3)12-8-9-4-6-10(13)7-5-9/h4-7,12-13H,8H2,1-3H3
InChIKey
XUJOHYQYXDSEFE-UHFFFAOYSA-N
Compound name
4-[(tert-butylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

179.13101 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.9
[M+Na]+ 202.12023 147.7
[M-H]- 178.12373 143.4
[M+NH4]+ 197.16483 160.5
[M+K]+ 218.09417 145.3
[M+H-H2O]+ 162.12827 135.7
[M+HCOO]- 224.12921 163.1
[M+CH3COO]- 238.14486 182.4
[M+Na-2H]- 200.10568 147.8
[M]+ 179.13046 140.2
[M]- 179.13156 140.2
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