CID 154382820

[1-(2-methoxyphenyl)propan-2-yl](methyl)nitrosoamine

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(CC1=CC=CC=C1OC)N(C)N=O
InChI
InChI=1S/C11H16N2O2/c1-9(13(2)12-14)8-10-6-4-5-7-11(10)15-3/h4-7,9H,8H2,1-3H3
InChIKey
ICXPUSTZVNISLH-UHFFFAOYSA-N
Compound name
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.12119 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 146.1
[M+Na]+ 231.110408 152.3
[M-H]- 207.113914 152.5
[M+NH4]+ 226.155013 165.7
[M+K]+ 247.084348 153.1
[M+H-H2O]+ 191.118450 138.8
[M+HCOO]- 253.119391 173.7
[M+CH3COO]- 267.135041 198.4
[M+Na-2H]- 229.095856 151.6
[M]+ 208.12064142 150.3
[M]- 208.12173858 150.3
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