CID 3016248

1-(dodecylamino)propan-2-ol

Structural Information

Molecular Formula
C15H33NO
SMILES
CCCCCCCCCCCCNCC(C)O
InChI
InChI=1S/C15H33NO/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)17/h15-17H,3-14H2,1-2H3
InChIKey
QZOMSYGNYBDMCH-UHFFFAOYSA-N
Compound name
1-(dodecylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

243.25621 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.263486 168.2
[M+Na]+ 266.245428 170.1
[M-H]- 242.248934 165.3
[M+NH4]+ 261.290033 184.8
[M+K]+ 282.219368 167.5
[M+H-H2O]+ 226.253470 161.8
[M+HCOO]- 288.254411 187.7
[M+CH3COO]- 302.270061 199.3
[M+Na-2H]- 264.230876 168.8
[M]+ 243.25566142 170.9
[M]- 243.25675858 170.9
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