CID 77702

3-pentanamine, 2,4-dimethyl-

Structural Information

Molecular Formula
C7H17N
SMILES
CC(C)C(C(C)C)N
InChI
InChI=1S/C7H17N/c1-5(2)7(8)6(3)4/h5-7H,8H2,1-4H3
InChIKey
FATQVQVMXNESGD-UHFFFAOYSA-N
Compound name
2,4-dimethylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1401
Patents

115.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 129.5
[M+Na]+ 138.12532 134.7
[M-H]- 114.12882 129.3
[M+NH4]+ 133.16992 151.7
[M+K]+ 154.09926 135.3
[M+H-H2O]+ 98.133360 124.9
[M+HCOO]- 160.13430 150.3
[M+CH3COO]- 174.14995 177.0
[M+Na-2H]- 136.11077 131.3
[M]+ 115.13555 127.3
[M]- 115.13665 127.3
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