CID 31179

22462-79-9

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

44
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 132.5
[M+Na]+ 150.12532 138.0
[M-H]- 126.12882 132.1
[M+NH4]+ 145.16992 154.3
[M+K]+ 166.09926 137.2
[M+H-H2O]+ 110.13336 127.7
[M+HCOO]- 172.13430 154.2
[M+CH3COO]- 186.14995 177.4
[M+Na-2H]- 148.11077 135.1
[M]+ 127.13555 130.5
[M]- 127.13665 130.5
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