CID 121533

P-(isobornyloxy)aniline

Structural Information

Molecular Formula
C16H23NO
SMILES
CC1(C2CCC1(C(C2)OC3=CC=C(C=C3)N)C)C
InChI
InChI=1S/C16H23NO/c1-15(2)11-8-9-16(15,3)14(10-11)18-13-6-4-12(17)5-7-13/h4-7,11,14H,8-10,17H2,1-3H3
InChIKey
VUROJSVSZNEPDB-UHFFFAOYSA-N
Compound name
4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.17796 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 156.9
[M+Na]+ 268.16718 166.7
[M+NH4]+ 263.21178 169.5
[M+K]+ 284.14112 159.7
[M-H]- 244.17068 160.5
[M+Na-2H]- 266.15263 163.3
[M]+ 245.17741 159.6
[M]- 245.17851 159.6
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.