CID 85764075

1-bromo-4-methoxy-4-methylpent-2-yne

Structural Information

Molecular Formula
C7H11BrO
SMILES
CC(C)(C#CCBr)OC
InChI
InChI=1S/C7H11BrO/c1-7(2,9-3)5-4-6-8/h6H2,1-3H3
InChIKey
OJNVLIGNCNNSDU-UHFFFAOYSA-N
Compound name
1-bromo-4-methoxy-4-methylpent-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.99933 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.006606 131.9
[M+Na]+ 212.988548 145.2
[M-H]- 188.992054 133.5
[M+NH4]+ 208.033153 153.1
[M+K]+ 228.962488 135.1
[M+H-H2O]+ 172.996590 127.3
[M+HCOO]- 234.997531 149.0
[M+CH3COO]- 249.013181 188.6
[M+Na-2H]- 210.973996 139.4
[M]+ 189.99878142 145.1
[M]- 189.99987858 145.1
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.