CID 429328

2-(3-methylbutyliminomethyl)phenol

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C)CCN=CC1=CC=CC=C1O
InChI
InChI=1S/C12H17NO/c1-10(2)7-8-13-9-11-5-3-4-6-12(11)14/h3-6,9-10,14H,7-8H2,1-2H3
InChIKey
XOVCOZPZAACWRA-UHFFFAOYSA-N
Compound name
2-(3-methylbutyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.13101 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 144.1
[M+Na]+ 214.120228 150.4
[M-H]- 190.123734 147.6
[M+NH4]+ 209.164833 163.7
[M+K]+ 230.094168 148.2
[M+H-H2O]+ 174.128270 137.9
[M+HCOO]- 236.129211 168.2
[M+CH3COO]- 250.144861 187.7
[M+Na-2H]- 212.105676 149.1
[M]+ 191.13046142 144.8
[M]- 191.13155858 144.8
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