CID 3016947

N-(2,3-epoxypropyl)-n-ethyl-m-tolylamine

Structural Information

Molecular Formula
C12H17NO
SMILES
CCN(CC1CO1)C2=CC=CC(=C2)C
InChI
InChI=1S/C12H17NO/c1-3-13(8-12-9-14-12)11-6-4-5-10(2)7-11/h4-7,12H,3,8-9H2,1-2H3
InChIKey
OWODXMXBMHAMRY-UHFFFAOYSA-N
Compound name
N-ethyl-3-methyl-N-(oxiran-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 141.8
[M+Na]+ 214.120228 150.2
[M-H]- 190.123734 151.4
[M+NH4]+ 209.164833 155.9
[M+K]+ 230.094168 149.6
[M+H-H2O]+ 174.128270 134.4
[M+HCOO]- 236.129211 166.6
[M+CH3COO]- 250.144861 193.2
[M+Na-2H]- 212.105676 148.8
[M]+ 191.13046142 146.8
[M]- 191.13155858 146.8
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.