CID 91655565

1379355-49-3

Structural Information

Molecular Formula
C12H19NO
SMILES
CC(C)(CC1=CC(=CC=C1)N(C)C)O
InChI
InChI=1S/C12H19NO/c1-12(2,14)9-10-6-5-7-11(8-10)13(3)4/h5-8,14H,9H2,1-4H3
InChIKey
OCGRWBVFGLOEDF-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)phenyl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 144.7
[M+Na]+ 216.13589 151.1
[M-H]- 192.13939 148.5
[M+NH4]+ 211.18049 164.3
[M+K]+ 232.10983 149.9
[M+H-H2O]+ 176.14393 139.1
[M+HCOO]- 238.14487 167.0
[M+CH3COO]- 252.16052 189.6
[M+Na-2H]- 214.12134 150.4
[M]+ 193.14612 145.7
[M]- 193.14722 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.