CID 75538

N-methyloctan-1-amine

Structural Information

Molecular Formula
C9H21N
SMILES
CCCCCCCCNC
InChI
InChI=1S/C9H21N/c1-3-4-5-6-7-8-9-10-2/h10H,3-9H2,1-2H3
InChIKey
SEGJNMCIMOLEDM-UHFFFAOYSA-N
Compound name
N-methyloctan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

4281
Patents

143.1674 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.17468 136.6
[M+Na]+ 166.15662 141.7
[M-H]- 142.16012 136.3
[M+NH4]+ 161.20122 158.1
[M+K]+ 182.13056 140.7
[M+H-H2O]+ 126.16466 131.3
[M+HCOO]- 188.16560 160.4
[M+CH3COO]- 202.18125 181.2
[M+Na-2H]- 164.14207 142.3
[M]+ 143.16685 138.2
[M]- 143.16795 138.2
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