CID 37620

37074-52-5

Structural Information

Molecular Formula
C12H28N
SMILES
CCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C12H28N/c1-5-6-7-8-9-10-11-12-13(2,3)4/h5-12H2,1-4H3/q+1
InChIKey
ZVFDPYZBJGKPII-UHFFFAOYSA-N
Compound name
trimethyl(nonyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

801
Patents

186.22217 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.22945 147.2
[M+Na]+ 209.21139 152.1
[M-H]- 185.21489 148.5
[M+NH4]+ 204.25599 168.0
[M+K]+ 225.18533 146.1
[M+H-H2O]+ 169.21943 145.0
[M+HCOO]- 231.22037 169.7
[M+CH3COO]- 245.23602 187.1
[M+Na-2H]- 207.19684 154.9
[M]+ 186.22162 149.8
[M]- 186.22272 149.8
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