CID 3019239

83732-63-2

Structural Information

Molecular Formula
C13H17NO
SMILES
COC1=C(C=CC(=C1)C2=CCCCC2)N
InChI
InChI=1S/C13H17NO/c1-15-13-9-11(7-8-12(13)14)10-5-3-2-4-6-10/h5,7-9H,2-4,6,14H2,1H3
InChIKey
HWVHXMMUTPERMI-UHFFFAOYSA-N
Compound name
4-(cyclohexen-1-yl)-2-methoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 145.5
[M+Na]+ 226.120228 151.5
[M-H]- 202.123734 151.5
[M+NH4]+ 221.164833 164.0
[M+K]+ 242.094168 148.4
[M+H-H2O]+ 186.128270 138.4
[M+HCOO]- 248.129211 168.0
[M+CH3COO]- 262.144861 188.1
[M+Na-2H]- 224.105676 150.0
[M]+ 203.13046142 141.9
[M]- 203.13155858 141.9
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.