CID 43196595

N-(1-cyclopropylethyl)-4-methoxyaniline

Structural Information

Molecular Formula
C12H17NO
SMILES
CC(C1CC1)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C12H17NO/c1-9(10-3-4-10)13-11-5-7-12(14-2)8-6-11/h5-10,13H,3-4H2,1-2H3
InChIKey
RUKUPEYUUFJAQX-UHFFFAOYSA-N
Compound name
N-(1-cyclopropylethyl)-4-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 139.8
[M+Na]+ 214.120228 147.7
[M-H]- 190.123734 147.3
[M+NH4]+ 209.164833 154.4
[M+K]+ 230.094168 145.1
[M+H-H2O]+ 174.128270 133.0
[M+HCOO]- 236.129211 164.3
[M+CH3COO]- 250.144861 190.7
[M+Na-2H]- 212.105676 145.6
[M]+ 191.13046142 142.4
[M]- 191.13155858 142.4
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

No patent data available for this compound.