CID 44630169

12-benzylamino-1-dodecanol

Structural Information

Molecular Formula
C19H33NO
SMILES
C1=CC=C(C=C1)CNCCCCCCCCCCCCO
InChI
InChI=1S/C19H33NO/c21-17-13-8-6-4-2-1-3-5-7-12-16-20-18-19-14-10-9-11-15-19/h9-11,14-15,20-21H,1-8,12-13,16-18H2
InChIKey
NHJKHPPLADLFHH-UHFFFAOYSA-N
Compound name
12-(benzylamino)dodecan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.25623 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.26351 176.5
[M+Na]+ 314.24545 178.2
[M-H]- 290.24895 176.5
[M+NH4]+ 309.29005 190.8
[M+K]+ 330.21939 173.3
[M+H-H2O]+ 274.25349 168.5
[M+HCOO]- 336.25443 197.4
[M+CH3COO]- 350.27008 205.8
[M+Na-2H]- 312.23090 179.1
[M]+ 291.25568 178.8
[M]- 291.25678 178.8
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.