CID 10130489

Benzenamine, 2-ethyl-n-[(1s)-2-methoxy-1-methylethyl]-6-methyl-

Structural Information

Molecular Formula
C13H21NO
SMILES
CCC1=CC=CC(=C1N[C@@H](C)COC)C
InChI
InChI=1S/C13H21NO/c1-5-12-8-6-7-10(2)13(12)14-11(3)9-15-4/h6-8,11,14H,5,9H2,1-4H3/t11-/m0/s1
InChIKey
YXWIRQHVEQIJOV-NSHDSACASA-N
Compound name
2-ethyl-N-[(2S)-1-methoxypropan-2-yl]-6-methylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

139
Patents

207.16231 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 149.4
[M+Na]+ 230.151528 155.9
[M-H]- 206.155034 153.1
[M+NH4]+ 225.196133 168.7
[M+K]+ 246.125468 154.0
[M+H-H2O]+ 190.159570 143.1
[M+HCOO]- 252.160511 172.9
[M+CH3COO]- 266.176161 193.4
[M+Na-2H]- 228.136976 153.1
[M]+ 207.16176142 151.6
[M]- 207.16285858 151.6
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