CID 5367912

2-methoxypentene-4

Structural Information

Molecular Formula
C6H12O
SMILES
C/C=C/C(C)OC
InChI
InChI=1S/C6H12O/c1-4-5-6(2)7-3/h4-6H,1-3H3/b5-4+
InChIKey
BHZPHJWPPWDASK-SNAWJCMRSA-N
Compound name
(E)-4-methoxypent-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

100.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 120.5
[M+Na]+ 123.078028 127.9
[M-H]- 99.081534 121.0
[M+NH4]+ 118.122633 144.0
[M+K]+ 139.051968 128.2
[M+H-H2O]+ 83.086070 116.5
[M+HCOO]- 145.087011 143.8
[M+CH3COO]- 159.102661 168.5
[M+Na-2H]- 121.063476 126.5
[M]+ 100.08826142 121.8
[M]- 100.08935858 121.8
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