CID 6435019

N,1-dimethyl-4-hexenylamine

Structural Information

Molecular Formula
C8H17N
SMILES
C/C=C/CCC(C)NC
InChI
InChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h4-5,8-9H,6-7H2,1-3H3/b5-4+
InChIKey
XHXKYRYYOVOOHI-SNAWJCMRSA-N
Compound name
(E)-N-methylhept-5-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.1361 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.14338 131.4
[M+Na]+ 150.12532 137.1
[M-H]- 126.12882 131.5
[M+NH4]+ 145.16992 153.6
[M+K]+ 166.09926 136.3
[M+H-H2O]+ 110.13336 126.6
[M+HCOO]- 172.13430 154.8
[M+CH3COO]- 186.14995 177.3
[M+Na-2H]- 148.11077 136.4
[M]+ 127.13555 131.2
[M]- 127.13665 131.2
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

No patent data available for this compound.