CID 6435019

4-hexenylamine, n,1-dimethyl-

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]+ 128.143376 131.4
[M+Na]+ 150.125318 137.1
[M-H]- 126.128824 131.5
[M+NH4]+ 145.169923 153.6
[M+K]+ 166.099258 136.3
[M+H-H2O]+ 110.133360 126.6
[M+HCOO]- 172.134301 154.8
[M+CH3COO]- 186.149951 177.3
[M+Na-2H]- 148.110766 136.4
[M]+ 127.13555142 131.2
[M]- 127.13664858 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.