CID 83422

N-methylhexadecylamine

Structural Information

Molecular Formula
C17H37N
SMILES
CCCCCCCCCCCCCCCCNC
InChI
InChI=1S/C17H37N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2/h18H,3-17H2,1-2H3
InChIKey
IHFXMTOFDQKABX-UHFFFAOYSA-N
Compound name
N-methylhexadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1462
Patents

255.2926 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.299876 172.6
[M+Na]+ 278.281818 174.4
[M-H]- 254.285324 170.7
[M+NH4]+ 273.326423 189.6
[M+K]+ 294.255758 171.2
[M+H-H2O]+ 238.289860 165.7
[M+HCOO]- 300.290801 193.8
[M+CH3COO]- 314.306451 205.4
[M+Na-2H]- 276.267266 174.0
[M]+ 255.29205142 177.3
[M]- 255.29314858 177.3
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