CID 57121907

[4-(prop-1-yn-1-yl)phenyl]methanol

Structural Information

Molecular Formula
C10H10O
SMILES
CC#CC1=CC=C(C=C1)CO
InChI
InChI=1S/C10H10O/c1-2-3-9-4-6-10(8-11)7-5-9/h4-7,11H,8H2,1H3
InChIKey
NWFNSGJGQYFTFA-UHFFFAOYSA-N
Compound name
(4-prop-1-ynylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.07317 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.080446 131.7
[M+Na]+ 169.062388 142.2
[M-H]- 145.065894 133.0
[M+NH4]+ 164.106993 150.5
[M+K]+ 185.036328 137.7
[M+H-H2O]+ 129.070430 120.8
[M+HCOO]- 191.071371 149.2
[M+CH3COO]- 205.087021 181.6
[M+Na-2H]- 167.047836 137.3
[M]+ 146.07262142 126.0
[M]- 146.07371858 126.0
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