CID 43437901

3-(cyclopentyloxy)-2-methylaniline

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=C(C=CC=C1OC2CCCC2)N
InChI
InChI=1S/C12H17NO/c1-9-11(13)7-4-8-12(9)14-10-5-2-3-6-10/h4,7-8,10H,2-3,5-6,13H2,1H3
InChIKey
KBMNYLKZJZHITK-UHFFFAOYSA-N
Compound name
3-cyclopentyloxy-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 142.6
[M+Na]+ 214.120228 149.0
[M-H]- 190.123734 148.8
[M+NH4]+ 209.164833 163.5
[M+K]+ 230.094168 146.2
[M+H-H2O]+ 174.128270 136.2
[M+HCOO]- 236.129211 166.2
[M+CH3COO]- 250.144861 185.0
[M+Na-2H]- 212.105676 145.3
[M]+ 191.13046142 139.4
[M]- 191.13155858 139.4
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.