CID 15345258

2,4-dimethylpentan-2-amine

Structural Information

Molecular Formula
C7H17N
SMILES
CC(C)CC(C)(C)N
InChI
InChI=1S/C7H17N/c1-6(2)5-7(3,4)8/h6H,5,8H2,1-4H3
InChIKey
BFUITLGNKICXGA-UHFFFAOYSA-N
Compound name
2,4-dimethylpentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

115.1361 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 128.0
[M+Na]+ 138.12532 134.2
[M-H]- 114.12882 128.0
[M+NH4]+ 133.16992 150.5
[M+K]+ 154.09926 134.2
[M+H-H2O]+ 98.133360 124.0
[M+HCOO]- 160.13430 149.3
[M+CH3COO]- 174.14995 175.5
[M+Na-2H]- 136.11077 133.0
[M]+ 115.13555 126.6
[M]- 115.13665 126.6
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