CID 13563

N,n-dimethylbutylamine

Structural Information

Molecular Formula
C6H15N
SMILES
CCCCN(C)C
InChI
InChI=1S/C6H15N/c1-4-5-6-7(2)3/h4-6H2,1-3H3
InChIKey
DJEQZVQFEPKLOY-UHFFFAOYSA-N
Compound name
N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

13
References

17736
Patents

101.12045 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.12773 122.7
[M+Na]+ 124.10967 129.2
[M-H]- 100.11317 124.5
[M+NH4]+ 119.15427 146.5
[M+K]+ 140.08361 130.5
[M+H-H2O]+ 84.117710 117.9
[M+HCOO]- 146.11865 148.0
[M+CH3COO]- 160.13430 175.7
[M+Na-2H]- 122.09512 129.3
[M]+ 101.11990 124.4
[M]- 101.12100 124.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.