CID 4426313

N-methyldihexylamine

Structural Information

Molecular Formula
C13H29N
SMILES
CCCCCCN(C)CCCCCC
InChI
InChI=1S/C13H29N/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h4-13H2,1-3H3
InChIKey
POMGZMHIXYRARC-UHFFFAOYSA-N
Compound name
N-hexyl-N-methylhexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4128
Patents

199.23 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.23728 155.3
[M+Na]+ 222.21922 158.9
[M-H]- 198.22272 155.7
[M+NH4]+ 217.26382 175.3
[M+K]+ 238.19316 158.3
[M+H-H2O]+ 182.22726 149.1
[M+HCOO]- 244.22820 178.3
[M+CH3COO]- 258.24385 196.9
[M+Na-2H]- 220.20467 158.0
[M]+ 199.22945 159.7
[M]- 199.23055 159.7
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