CID 14454757

4,4-dimethylpentan-1-amine

Structural Information

Molecular Formula
C7H17N
SMILES
CC(C)(C)CCCN
InChI
InChI=1S/C7H17N/c1-7(2,3)5-4-6-8/h4-6,8H2,1-3H3
InChIKey
MJOCCSXOVAVKFC-UHFFFAOYSA-N
Compound name
4,4-dimethylpentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

681
Patents

115.1361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 128.1
[M+Na]+ 138.12532 134.6
[M-H]- 114.12882 128.0
[M+NH4]+ 133.16992 150.7
[M+K]+ 154.09926 134.2
[M+H-H2O]+ 98.133360 124.0
[M+HCOO]- 160.13430 150.4
[M+CH3COO]- 174.14995 174.0
[M+Na-2H]- 136.11077 134.4
[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