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]+ 246.185236 157.9
[M+Na]+ 268.167178 166.3
[M-H]- 244.170684 164.1
[M+NH4]+ 263.211783 184.4
[M+K]+ 284.141118 162.0
[M+H-H2O]+ 228.175220 153.3
[M+HCOO]- 290.176161 179.1
[M+CH3COO]- 304.191811 170.8
[M+Na-2H]- 266.152626 160.6
[M]+ 245.17741142 157.4
[M]- 245.17850858 157.4
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.