CID 11447032

Dtxsid90891585

Structural Information

Molecular Formula
C13H17NO
SMILES
CC(CC1=CC=CC=C1)[N+](C)(CC#C)[O-]
InChI
InChI=1S/C13H17NO/c1-4-10-14(3,15)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3
InChIKey
IVFPCTFUZXEDKP-UHFFFAOYSA-N
Compound name
N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 153.5
[M+Na]+ 226.120228 161.3
[M-H]- 202.123734 155.1
[M+NH4]+ 221.164833 170.0
[M+K]+ 242.094168 153.3
[M+H-H2O]+ 186.128270 146.0
[M+HCOO]- 248.129211 170.1
[M+CH3COO]- 262.144861 190.8
[M+Na-2H]- 224.105676 159.2
[M]+ 203.13046142 146.3
[M]- 203.13155858 146.3
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

No patent data available for this compound.