CID 5367525

Cis-4-methyl-1,4-hexadiene

Structural Information

Molecular Formula
C7H12
SMILES
C/C=C(\C)/CC=C
InChI
InChI=1S/C7H12/c1-4-6-7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
InChIKey
JBVMSEMQJGGOFR-FNORWQNLSA-N
Compound name
(4E)-4-methylhexa-1,4-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

7997
Patents

96.0939 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.101176 120.0
[M+Na]+ 119.08312 127.4
[M-H]- 95.086624 120.5
[M+NH4]+ 114.12772 143.8
[M+K]+ 135.05706 126.4
[M+H-H2O]+ 79.091160 116.2
[M+HCOO]- 141.09210 143.0
[M+CH3COO]- 155.10775 168.7
[M+Na-2H]- 117.06857 125.7
[M]+ 96.093351 119.6
[M]- 96.094449 119.6
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