CID 85258

2-hexadecyldimethylamine

Structural Information

Molecular Formula
C18H39N
SMILES
CCCCCCCCCCCCCCC(C)N(C)C
InChI
InChI=1S/C18H39N/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)19(3)4/h18H,5-17H2,1-4H3
InChIKey
LGDPDVQVOTUMAJ-UHFFFAOYSA-N
Compound name
N,N-dimethylhexadecan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

269.30826 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.31554 179.0
[M+Na]+ 292.29748 180.3
[M-H]- 268.30098 178.5
[M+NH4]+ 287.34208 196.0
[M+K]+ 308.27142 178.7
[M+H-H2O]+ 252.30552 171.8
[M+HCOO]- 314.30646 199.3
[M+CH3COO]- 328.32211 212.7
[M+Na-2H]- 290.28293 177.7
[M]+ 269.30771 184.6
[M]- 269.30881 184.6
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