CID 5357255

(e)-2-methylhept-3-ene

Structural Information

Molecular Formula
C8H16
SMILES
CCC/C=C/C(C)C
InChI
InChI=1S/C8H16/c1-4-5-6-7-8(2)3/h6-8H,4-5H2,1-3H3/b7-6+
InChIKey
CYEZJYAMLNTSKN-VOTSOKGWSA-N
Compound name
(E)-2-methylhept-3-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1204
Patents

112.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.13248 126.5
[M+Na]+ 135.11442 133.1
[M-H]- 111.11792 126.7
[M+NH4]+ 130.15902 149.6
[M+K]+ 151.08836 132.4
[M+H-H2O]+ 95.122460 122.3
[M+HCOO]- 157.12340 148.9
[M+CH3COO]- 171.13905 172.7
[M+Na-2H]- 133.09987 131.5
[M]+ 112.12465 127.2
[M]- 112.12575 127.2
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