CID 10378992

Vanidilol

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)(C)NCC(COC1=C(C=C(C=C1)C=O)OC)O
InChI
InChI=1S/C15H23NO4/c1-15(2,3)16-8-12(18)10-20-13-6-5-11(9-17)7-14(13)19-4/h5-7,9,12,16,18H,8,10H2,1-4H3
InChIKey
QWLFUSKVGCXHDS-UHFFFAOYSA-N
Compound name
4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-methoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

281.16272 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 166.6
[M+Na]+ 304.15194 172.2
[M-H]- 280.15544 168.7
[M+NH4]+ 299.19654 181.9
[M+K]+ 320.12588 170.6
[M+H-H2O]+ 264.15998 160.2
[M+HCOO]- 326.16092 187.2
[M+CH3COO]- 340.17657 202.0
[M+Na-2H]- 302.13739 169.8
[M]+ 281.16217 170.7
[M]- 281.16327 170.7
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