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]+ 148.07570 133.1
[M+Na]+ 170.05764 143.7
[M-H]- 146.06114 134.2
[M+NH4]+ 165.10224 151.4
[M+K]+ 186.03158 139.4
[M+H-H2O]+ 130.06568 122.1
[M+HCOO]- 192.06662 151.0
[M+CH3COO]- 206.08227 184.2
[M+Na-2H]- 168.04309 137.5
[M]+ 147.06787 125.7
[M]- 147.06897 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