CID 81746

N-methyldodecylamine

Structural Information

Molecular Formula
C13H29N
SMILES
CCCCCCCCCCCCNC
InChI
InChI=1S/C13H29N/c1-3-4-5-6-7-8-9-10-11-12-13-14-2/h14H,3-13H2,1-2H3
InChIKey
OMEMQVZNTDHENJ-UHFFFAOYSA-N
Compound name
N-methyldodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4868
Patents

199.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 152.9
[M+Na]+ 222.21922 161.8
[M+NH4]+ 217.26382 160.7
[M+K]+ 238.19316 153.6
[M-H]- 198.22272 153.6
[M+Na-2H]- 220.20467 156.0
[M]+ 199.22945 154.2
[M]- 199.23055 154.2
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