CID 18069811

1016526-27-4

Structural Information

Molecular Formula
C12H20N2O
SMILES
CC(C)CC(C)OC1=NC=CC(=C1)CN
InChI
InChI=1S/C12H20N2O/c1-9(2)6-10(3)15-12-7-11(8-13)4-5-14-12/h4-5,7,9-10H,6,8,13H2,1-3H3
InChIKey
VOJHKEXYZCVKSW-UHFFFAOYSA-N
Compound name
[2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.164836 150.6
[M+Na]+ 231.146778 156.3
[M-H]- 207.150284 152.1
[M+NH4]+ 226.191383 167.8
[M+K]+ 247.120718 154.6
[M+H-H2O]+ 191.154820 143.3
[M+HCOO]- 253.155761 171.5
[M+CH3COO]- 267.171411 192.1
[M+Na-2H]- 229.132226 153.3
[M]+ 208.15701142 150.9
[M]- 208.15810858 150.9
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.