CID 87077

Ditetradecylamine

Structural Information

Molecular Formula
C28H59N
SMILES
CCCCCCCCCCCCCCNCCCCCCCCCCCCCC
InChI
InChI=1S/C28H59N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3
InChIKey
HSUGDXPUFCVGES-UHFFFAOYSA-N
Compound name
N-tetradecyltetradecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3330
Patents

409.46475 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.47203 220.1
[M+Na]+ 432.45397 217.2
[M-H]- 408.45747 216.0
[M+NH4]+ 427.49857 230.8
[M+K]+ 448.42791 211.2
[M+H-H2O]+ 392.46201 211.0
[M+HCOO]- 454.46295 237.5
[M+CH3COO]- 468.47860 238.0
[M+Na-2H]- 430.43942 215.7
[M]+ 409.46420 228.9
[M]- 409.46530 228.9
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