CID 419297

3-methylhexan-3-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

535
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 127.9
[M+Na]+ 138.12532 134.3
[M-H]- 114.12882 127.7
[M+NH4]+ 133.16992 150.4
[M+K]+ 154.09926 133.9
[M+H-H2O]+ 98.133360 123.8
[M+HCOO]- 160.13430 150.2
[M+CH3COO]- 174.14995 174.7
[M+Na-2H]- 136.11077 134.2
[M]+ 115.13555 127.2
[M]- 115.13665 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe