CID 10900145

2,2,5-trimethyl-4-phenyl-3-azahexane-3-nitroxide

Structural Information

Molecular Formula
C14H22NO
SMILES
CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)[O]
InChI
InChI=1S/C14H22NO/c1-11(2)13(15(16)14(3,4)5)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKey
VGHCMXLEZFMZOZ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

220.17014 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.17742 153.6
[M+Na]+ 243.15936 158.3
[M-H]- 219.16286 158.3
[M+NH4]+ 238.20396 172.5
[M+K]+ 259.13330 158.5
[M+H-H2O]+ 203.16740 147.4
[M+HCOO]- 265.16834 174.8
[M+CH3COO]- 279.18399 198.2
[M+Na-2H]- 241.14481 157.1
[M]+ 220.16959 155.6
[M]- 220.17069 155.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe