CID 131152073

(2-amino-5-ethynylphenyl)methanol

Structural Information

Molecular Formula
C9H9NO
SMILES
C#CC1=CC(=C(C=C1)N)CO
InChI
InChI=1S/C9H9NO/c1-2-7-3-4-9(10)8(5-7)6-11/h1,3-5,11H,6,10H2
InChIKey
YQRXDTUEYOGOAT-UHFFFAOYSA-N
Compound name
(2-amino-5-ethynylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

147.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 133.1
[M+Na]+ 170.057638 143.7
[M-H]- 146.061144 134.2
[M+NH4]+ 165.102243 151.4
[M+K]+ 186.031578 139.4
[M+H-H2O]+ 130.065680 122.1
[M+HCOO]- 192.066621 151.0
[M+CH3COO]- 206.082271 184.2
[M+Na-2H]- 168.043086 137.5
[M]+ 147.06787142 125.7
[M]- 147.06896858 125.7
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