CID 22833357

Schembl8566484

Structural Information

Molecular Formula
C16H35NO
SMILES
CC(C)CC(C)CCCCCCCOCCCN
InChI
InChI=1S/C16H35NO/c1-15(2)14-16(3)10-7-5-4-6-8-12-18-13-9-11-17/h15-16H,4-14,17H2,1-3H3
InChIKey
JCBFWZDDDTVBFC-UHFFFAOYSA-N
Compound name
3-(8,10-dimethylundecoxy)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

257.27185 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.279126 173.7
[M+Na]+ 280.261068 175.4
[M-H]- 256.264574 171.7
[M+NH4]+ 275.305673 190.2
[M+K]+ 296.235008 173.6
[M+H-H2O]+ 240.269110 167.0
[M+HCOO]- 302.270051 192.8
[M+CH3COO]- 316.285701 205.1
[M+Na-2H]- 278.246516 171.9
[M]+ 257.27130142 177.1
[M]- 257.27239858 177.1
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