CID 408570

Heptadecan-9-amine

Structural Information

Molecular Formula
C17H37N
SMILES
CCCCCCCCC(CCCCCCCC)N
InChI
InChI=1S/C17H37N/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2/h17H,3-16,18H2,1-2H3
InChIKey
XLHBQRJOHIHZGQ-UHFFFAOYSA-N
Compound name
heptadecan-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

852
Patents

255.2926 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.299876 174.2
[M+Na]+ 278.281818 175.7
[M-H]- 254.285324 171.9
[M+NH4]+ 273.326423 190.9
[M+K]+ 294.255758 172.7
[M+H-H2O]+ 238.289860 167.4
[M+HCOO]- 300.290801 193.7
[M+CH3COO]- 314.306451 205.5
[M+Na-2H]- 276.267266 173.2
[M]+ 255.29205142 177.1
[M]- 255.29314858 177.1
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