CID 44817932

4-ethynyl-1-methoxy-2-methylbenzene

Structural Information

Molecular Formula
C10H10O
SMILES
CC1=C(C=CC(=C1)C#C)OC
InChI
InChI=1S/C10H10O/c1-4-9-5-6-10(11-3)8(2)7-9/h1,5-7H,2-3H3
InChIKey
AGTWWFRYYPHKBO-UHFFFAOYSA-N
Compound name
4-ethynyl-1-methoxy-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

146.07317 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.08045 128.7
[M+Na]+ 169.06239 140.3
[M-H]- 145.06589 131.6
[M+NH4]+ 164.10699 148.4
[M+K]+ 185.03633 136.7
[M+H-H2O]+ 129.07043 117.8
[M+HCOO]- 191.07137 147.6
[M+CH3COO]- 205.08702 185.6
[M+Na-2H]- 167.04784 134.3
[M]+ 146.07262 125.1
[M]- 146.07372 125.1
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

patents stripe