CID 23658

4-allyloxy-3,5-diisopropylbenzylamine hydrochloride

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(C)C1=CC(=CC(=C1OCC=C)C(C)C)CN
InChI
InChI=1S/C16H25NO/c1-6-7-18-16-14(11(2)3)8-13(10-17)9-15(16)12(4)5/h6,8-9,11-12H,1,7,10,17H2,2-5H3
InChIKey
ZGKMHRCTDDIMHI-UHFFFAOYSA-N
Compound name
[3,5-di(propan-2-yl)-4-prop-2-enoxyphenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 162.1
[M+Na]+ 270.18284 168.2
[M-H]- 246.18634 165.1
[M+NH4]+ 265.22744 179.6
[M+K]+ 286.15678 165.2
[M+H-H2O]+ 230.19088 155.7
[M+HCOO]- 292.19182 183.1
[M+CH3COO]- 306.20747 203.1
[M+Na-2H]- 268.16829 161.1
[M]+ 247.19307 163.4
[M]- 247.19417 163.4
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

patents stripe