CID 112236

69088-96-6

Structural Information

Molecular Formula
C11H13NO
SMILES
CC(C)(C#CC1=CC(=CC=C1)N)O
InChI
InChI=1S/C11H13NO/c1-11(2,13)7-6-9-4-3-5-10(12)8-9/h3-5,8,13H,12H2,1-2H3
InChIKey
DQPSETABKZMTEZ-UHFFFAOYSA-N
Compound name
4-(3-aminophenyl)-2-methylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

131
Patents

175.09972 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.10700 141.0
[M+Na]+ 198.08894 152.0
[M+NH4]+ 193.13354 145.4
[M+K]+ 214.06288 143.5
[M-H]- 174.09244 134.6
[M+Na-2H]- 196.07439 144.0
[M]+ 175.09917 139.9
[M]- 175.10027 139.9
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