CID 4339626

3-methylpentan-3-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3224
Patents

101.12045 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.12773 122.3
[M+Na]+ 124.10967 132.0
[M+NH4]+ 119.15427 130.9
[M+K]+ 140.08361 127.0
[M-H]- 100.11317 122.5
[M+Na-2H]- 122.09512 126.6
[M]+ 101.11990 123.6
[M]- 101.12100 123.6
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