CID 19626924

2-(cyclohexylmethoxy)aniline

Structural Information

Molecular Formula
C13H19NO
SMILES
C1CCC(CC1)COC2=CC=CC=C2N
InChI
InChI=1S/C13H19NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10,14H2
InChIKey
HZAKEPRQZUEFPZ-UHFFFAOYSA-N
Compound name
2-(cyclohexylmethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.14667 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.15395 147.0
[M+Na]+ 228.13589 151.0
[M-H]- 204.13939 152.2
[M+NH4]+ 223.18049 165.0
[M+K]+ 244.10983 148.1
[M+H-H2O]+ 188.14393 139.6
[M+HCOO]- 250.14487 168.0
[M+CH3COO]- 264.16052 187.4
[M+Na-2H]- 226.12134 151.2
[M]+ 205.14612 141.5
[M]- 205.14722 141.5
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