CID 31179

6-methylhept-5-en-2-amine

Structural Information

Molecular Formula
C8H17N
SMILES
CC(CCC=C(C)C)N
InChI
InChI=1S/C8H17N/c1-7(2)5-4-6-8(3)9/h5,8H,4,6,9H2,1-3H3
InChIKey
LINQVIAARQIDQJ-UHFFFAOYSA-N
Compound name
6-methylhept-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

42
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 131.4
[M+Na]+ 150.12532 140.4
[M+NH4]+ 145.16992 139.3
[M+K]+ 166.09926 135.1
[M-H]- 126.12882 131.4
[M+Na-2H]- 148.11077 134.4
[M]+ 127.13555 132.4
[M]- 127.13665 132.4
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