CID 10942630

Benzenamine, n,n,4-trimethyl-, n-oxide

Structural Information

Molecular Formula
C9H13NO
SMILES
CC1=CC=C(C=C1)[N+](C)(C)[O-]
InChI
InChI=1S/C9H13NO/c1-8-4-6-9(7-5-8)10(2,3)11/h4-7H,1-3H3
InChIKey
NALMPLUMOWIVJC-UHFFFAOYSA-N
Compound name
N,N,4-trimethylbenzeneamine oxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7015
Patents

151.09972 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.10700 128.3
[M+Na]+ 174.08894 136.2
[M-H]- 150.09244 132.5
[M+NH4]+ 169.13354 149.6
[M+K]+ 190.06288 130.5
[M+H-H2O]+ 134.09698 128.3
[M+HCOO]- 196.09792 153.1
[M+CH3COO]- 210.11357 172.6
[M+Na-2H]- 172.07439 138.8
[M]+ 151.09917 126.8
[M]- 151.10027 126.8
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