CID 15791

1-aminoheptadecane

Structural Information

Molecular Formula
C17H37N
SMILES
CCCCCCCCCCCCCCCCCN
InChI
InChI=1S/C17H37N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-18H2,1H3
InChIKey
KAJZYANLDWUIES-UHFFFAOYSA-N
Compound name
heptadecan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

8413
Patents

255.2926 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.299876 172.9
[M+Na]+ 278.281818 174.6
[M-H]- 254.285324 170.5
[M+NH4]+ 273.326423 189.6
[M+K]+ 294.255758 171.1
[M+H-H2O]+ 238.289860 166.0
[M+HCOO]- 300.290801 193.4
[M+CH3COO]- 314.306451 204.7
[M+Na-2H]- 276.267266 173.2
[M]+ 255.29205142 176.5
[M]- 255.29314858 176.5
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