CID 110904

6555-27-7

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC(CC1=CC(=C(C=C1)O)OC)(C#N)N
InChI
InChI=1S/C11H14N2O2/c1-11(13,7-12)6-8-3-4-9(14)10(5-8)15-2/h3-5,14H,6,13H2,1-2H3
InChIKey
QTMSVFFNBUCGRA-UHFFFAOYSA-N
Compound name
2-amino-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

206.10553 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.112806 150.2
[M+Na]+ 229.094748 159.4
[M-H]- 205.098254 152.1
[M+NH4]+ 224.139353 166.4
[M+K]+ 245.068688 156.8
[M+H-H2O]+ 189.102790 138.3
[M+HCOO]- 251.103731 168.3
[M+CH3COO]- 265.119381 198.7
[M+Na-2H]- 227.080196 154.5
[M]+ 206.10498142 145.0
[M]- 206.10607858 145.0
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