CID 11731

1,2-dimethylpropylamine

Structural Information

Molecular Formula
C5H13N
SMILES
CC(C)C(C)N
InChI
InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey
JOZZAIIGWFLONA-UHFFFAOYSA-N
Compound name
3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

9817
Patents

87.1048 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.112076 119.8
[M+Na]+ 110.094018 126.2
[M-H]- 86.097524 119.9
[M+NH4]+ 105.138623 143.2
[M+K]+ 126.067958 126.8
[M+H-H2O]+ 70.102060 115.6
[M+HCOO]- 132.103001 142.3
[M+CH3COO]- 146.118651 170.0
[M+Na-2H]- 108.079466 124.0
[M]+ 87.10425142 117.5
[M]- 87.10534858 117.5
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