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

537
Patents

115.1361 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.143376 127.9
[M+Na]+ 138.125318 134.3
[M-H]- 114.128824 127.7
[M+NH4]+ 133.169923 150.4
[M+K]+ 154.099258 133.9
[M+H-H2O]+ 98.133360 123.8
[M+HCOO]- 160.134301 150.2
[M+CH3COO]- 174.149951 174.7
[M+Na-2H]- 136.110766 134.2
[M]+ 115.13555142 127.2
[M]- 115.13664858 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