CID 85258

N,n-dimethylhexadecan-2-amine

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

15
Patents

269.30826 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.315536 179.0
[M+Na]+ 292.297478 180.3
[M-H]- 268.300984 178.5
[M+NH4]+ 287.342083 196.0
[M+K]+ 308.271418 178.7
[M+H-H2O]+ 252.305520 171.8
[M+HCOO]- 314.306461 199.3
[M+CH3COO]- 328.322111 212.7
[M+Na-2H]- 290.282926 177.7
[M]+ 269.30771142 184.6
[M]- 269.30880858 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