CID 91910

55875-42-8

Structural Information

Molecular Formula
C12H16N2O2
SMILES
CC1=C(C=CC(=C1)N(C)C)C=C(C)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O2/c1-9-7-12(13(3)4)6-5-11(9)8-10(2)14(15)16/h5-8H,1-4H3
InChIKey
JVMSKGOQBHOVAB-UHFFFAOYSA-N
Compound name
N,N,3-trimethyl-4-(2-nitroprop-1-enyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

220.12119 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.128466 149.2
[M+Na]+ 243.110408 155.5
[M-H]- 219.113914 154.4
[M+NH4]+ 238.155013 167.5
[M+K]+ 259.084348 150.4
[M+H-H2O]+ 203.118450 147.5
[M+HCOO]- 265.119391 174.7
[M+CH3COO]- 279.135041 191.3
[M+Na-2H]- 241.095856 153.6
[M]+ 220.12064142 149.0
[M]- 220.12173858 149.0
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