CID 31543

22820-58-2

Structural Information

Molecular Formula
C14H23NO
SMILES
CC(C)(C)NCC(CCC1=CC=CC=C1)O
InChI
InChI=1S/C14H23NO/c1-14(2,3)15-11-13(16)10-9-12-7-5-4-6-8-12/h4-8,13,15-16H,9-11H2,1-3H3
InChIKey
PATCYMQKYNUQBA-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-4-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.17796 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.18524 155.3
[M+Na]+ 244.16718 159.5
[M-H]- 220.17068 156.9
[M+NH4]+ 239.21178 172.8
[M+K]+ 260.14112 156.9
[M+H-H2O]+ 204.17522 149.3
[M+HCOO]- 266.17616 175.4
[M+CH3COO]- 280.19181 191.2
[M+Na-2H]- 242.15263 160.0
[M]+ 221.17741 154.6
[M]- 221.17851 154.6
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.