CID 11040841

Schembl3995663

Structural Information

Molecular Formula
C9H9NO
SMILES
C[C@@](C#N)(C1=CC=CC=C1)O
InChI
InChI=1S/C9H9NO/c1-9(11,7-10)8-5-3-2-4-6-8/h2-6,11H,1H3/t9-/m1/s1
InChIKey
NGLPDXCYIUHTNP-SECBINFHSA-N
Compound name
(2S)-2-hydroxy-2-phenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 135.1
[M+Na]+ 170.05764 144.7
[M-H]- 146.06114 137.4
[M+NH4]+ 165.10224 153.7
[M+K]+ 186.03158 141.7
[M+H-H2O]+ 130.06568 123.7
[M+HCOO]- 192.06662 153.4
[M+CH3COO]- 206.08227 185.4
[M+Na-2H]- 168.04309 142.5
[M]+ 147.06787 129.1
[M]- 147.06897 129.1
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