CID 93190

36343-05-2

Structural Information

Molecular Formula
C8H19N
SMILES
CCCCCCCNC
InChI
InChI=1S/C8H19N/c1-3-4-5-6-7-8-9-2/h9H,3-8H2,1-2H3
InChIKey
LTGYRKOQQQWWAF-UHFFFAOYSA-N
Compound name
N-methylheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

986
Patents

129.15175 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.15903 132.0
[M+Na]+ 152.14097 137.5
[M-H]- 128.14447 131.9
[M+NH4]+ 147.18557 154.1
[M+K]+ 168.11491 136.8
[M+H-H2O]+ 112.14901 127.0
[M+HCOO]- 174.14995 156.1
[M+CH3COO]- 188.16560 178.2
[M+Na-2H]- 150.12642 138.3
[M]+ 129.15120 133.2
[M]- 129.15230 133.2
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