CID 14178126

4-(2-aminopropan-2-yl)phenol hydrochloride

Structural Information

Molecular Formula
C9H13NO
SMILES
CC(C)(C1=CC=C(C=C1)O)N
InChI
InChI=1S/C9H13NO/c1-9(2,10)7-3-5-8(11)6-4-7/h3-6,11H,10H2,1-2H3
InChIKey
YOZMIMYRFCYAQY-UHFFFAOYSA-N
Compound name
4-(2-aminopropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

151.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 132.0
[M+Na]+ 174.08894 139.6
[M-H]- 150.09244 134.3
[M+NH4]+ 169.13354 152.4
[M+K]+ 190.06288 137.3
[M+H-H2O]+ 134.09698 127.2
[M+HCOO]- 196.09792 154.1
[M+CH3COO]- 210.11357 176.3
[M+Na-2H]- 172.07439 138.9
[M]+ 151.09917 129.6
[M]- 151.10027 129.6
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