CID 11514362

870076-72-5

Structural Information

Molecular Formula
C14H23NO3
SMILES
CC(C)(C)NCC(C1=CC(=C(C=C1)O)CO)OC
InChI
InChI=1S/C14H23NO3/c1-14(2,3)15-8-13(18-4)10-5-6-12(17)11(7-10)9-16/h5-7,13,15-17H,8-9H2,1-4H3
InChIKey
UMHASVFLCHGDPW-UHFFFAOYSA-N
Compound name
4-[2-(tert-butylamino)-1-methoxyethyl]-2-(hydroxymethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

253.1678 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17508 161.1
[M+Na]+ 276.15702 166.5
[M-H]- 252.16052 162.0
[M+NH4]+ 271.20162 177.0
[M+K]+ 292.13096 164.3
[M+H-H2O]+ 236.16506 155.3
[M+HCOO]- 298.16600 180.1
[M+CH3COO]- 312.18165 195.3
[M+Na-2H]- 274.14247 164.1
[M]+ 253.16725 162.2
[M]- 253.16835 162.2
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