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 157.9
[M+Na]+ 268.16718 166.3
[M-H]- 244.17068 164.1
[M+NH4]+ 263.21178 184.4
[M+K]+ 284.14112 162.0
[M+H-H2O]+ 228.17522 153.3
[M+HCOO]- 290.17616 179.1
[M+CH3COO]- 304.19181 170.8
[M+Na-2H]- 266.15263 160.6
[M]+ 245.17741 157.4
[M]- 245.17851 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.