CID 118232

3-methylhexan-2-amine

Structural Information

Molecular Formula
C7H17N
SMILES
CCCC(C)C(C)N
InChI
InChI=1S/C7H17N/c1-4-5-6(2)7(3)8/h6-7H,4-5,8H2,1-3H3
InChIKey
WVYNIWHEHBSTSB-UHFFFAOYSA-N
Compound name
3-methylhexan-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

141
Patents

115.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.14338 127.5
[M+Na]+ 138.12532 136.6
[M+NH4]+ 133.16992 135.8
[M+K]+ 154.09926 131.6
[M-H]- 114.12882 127.8
[M+Na-2H]- 136.11077 130.9
[M]+ 115.13555 128.6
[M]- 115.13665 128.6
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