CID 90115

23478-16-2

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)NC1=CC(=CC=C1)O
InChI
InChI=1S/C9H13NO/c1-7(2)10-8-4-3-5-9(11)6-8/h3-7,10-11H,1-2H3
InChIKey
VDJZDFBTZXYTNX-UHFFFAOYSA-N
Compound name
3-(propan-2-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

151.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 131.9
[M+Na]+ 174.08894 138.7
[M-H]- 150.09244 134.4
[M+NH4]+ 169.13354 152.3
[M+K]+ 190.06288 136.8
[M+H-H2O]+ 134.09698 126.4
[M+HCOO]- 196.09792 155.2
[M+CH3COO]- 210.11357 177.5
[M+Na-2H]- 172.07439 137.9
[M]+ 151.09917 130.3
[M]- 151.10027 130.3
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