CID 12998589

Methyl(2-methylbutyl)amine hydrochloride

Structural Information

Molecular Formula
C6H15N
SMILES
CCC(C)CNC
InChI
InChI=1S/C6H15N/c1-4-6(2)5-7-3/h6-7H,4-5H2,1-3H3
InChIKey
OSUSHJKMXVMILZ-UHFFFAOYSA-N
Compound name
N,2-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

664
Patents

101.12045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.12773 123.5
[M+Na]+ 124.10967 129.6
[M-H]- 100.11317 123.9
[M+NH4]+ 119.15427 146.7
[M+K]+ 140.08361 129.9
[M+H-H2O]+ 84.117710 119.0
[M+HCOO]- 146.11865 147.3
[M+CH3COO]- 160.13430 172.9
[M+Na-2H]- 122.09512 129.6
[M]+ 101.11990 123.3
[M]- 101.12100 123.3
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