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
2
Annotation Hits

5
References

5646
Patents

199.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.237276 154.7
[M+Na]+ 222.219218 158.2
[M-H]- 198.222724 153.6
[M+NH4]+ 217.263823 174.0
[M+K]+ 238.193158 156.1
[M+H-H2O]+ 182.227260 148.7
[M+HCOO]- 244.228201 177.2
[M+CH3COO]- 258.243851 193.4
[M+Na-2H]- 220.204666 158.3
[M]+ 199.22945142 157.9
[M]- 199.23054858 157.9
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