CID 53403801

1378755-92-0

Structural Information

Molecular Formula
C12H19NO
SMILES
CC1=C(C=CC(=C1)NCC(C)(C)C)O
InChI
InChI=1S/C12H19NO/c1-9-7-10(5-6-11(9)14)13-8-12(2,3)4/h5-7,13-14H,8H2,1-4H3
InChIKey
WZHJGEAWNKWVOQ-UHFFFAOYSA-N
Compound name
4-(2,2-dimethylpropylamino)-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.14667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.15395 145.1
[M+Na]+ 216.13589 152.4
[M-H]- 192.13939 147.8
[M+NH4]+ 211.18049 164.5
[M+K]+ 232.10983 149.8
[M+H-H2O]+ 176.14393 139.9
[M+HCOO]- 238.14487 166.9
[M+CH3COO]- 252.16052 186.6
[M+Na-2H]- 214.12134 150.8
[M]+ 193.14612 145.2
[M]- 193.14722 145.2
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.